PubChemLite - Amiprilose (C14H27NO6)

Structural Information

Molecular Formula

SMILES

CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@@H](CO)O)OCCCN(C)C)C

InChI

InChI=1S/C14H27NO6/c1-14(2)20-12-11(18-7-5-6-15(3)4)10(9(17)8-16)19-13(12)21-14/h9-13,16-17H,5-8H2,1-4H3/t9-,10-,11+,12-,13-/m1/s1

InChIKey

YXBQLONCIPUQKO-UJPOAAIJSA-N

Compound name

(1R)-1-[(3aR,5R,6S,6aR)-6-[3-(dimethylamino)propoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	306.19112	172.5
[M+Na]+	328.17306	177.1
[M-H]-	304.17656	176.8
[M+NH4]+	323.21766	189.0
[M+K]+	344.14700	179.9
[M+H-H2O]+	288.18110	169.4
[M+HCOO]-	350.18204	187.8
[M+CH3COO]-	364.19769	205.8
[M+Na-2H]-	326.15851	173.9
[M]+	305.18329	178.2
[M]-	305.18439	178.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

306.19112

172.5

[M+Na]+

328.17306

177.1

[M-H]-

304.17656

176.8

[M+NH4]+

323.21766

189.0

[M+K]+

344.14700

179.9

[M+H-H2O]+

288.18110

169.4

[M+HCOO]-

350.18204

187.8

[M+CH3COO]-

364.19769

205.8

[M+Na-2H]-

326.15851

173.9

[M]+

305.18329

178.2

[M]-

305.18439

178.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Amiprilose

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe