CID 139595764

Spiroxamine-despropyl-acid

Structural Information

Molecular Formula
C15H27NO4
SMILES
CCNCC1COC2(O1)CCC(CC2)C(C)(C)C(=O)O
InChI
InChI=1S/C15H27NO4/c1-4-16-9-12-10-19-15(20-12)7-5-11(6-8-15)14(2,3)13(17)18/h11-12,16H,4-10H2,1-3H3,(H,17,18)
InChIKey
KLADUEZJDHFJBO-UHFFFAOYSA-N
Compound name
2-[3-(ethylaminomethyl)-1,4-dioxaspiro[4.5]decan-8-yl]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

285.194 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.20128 168.1
[M+Na]+ 308.18322 170.6
[M-H]- 284.18672 172.2
[M+NH4]+ 303.22782 184.0
[M+K]+ 324.15716 171.1
[M+H-H2O]+ 268.19126 163.3
[M+HCOO]- 330.19220 181.6
[M+CH3COO]- 344.20785 199.3
[M+Na-2H]- 306.16867 171.5
[M]+ 285.19345 165.3
[M]- 285.19455 165.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.