CID 139597481

Spiroxamine-acid

Structural Information

Molecular Formula
C18H33NO4
SMILES
CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C(=O)O
InChI
InChI=1S/C18H33NO4/c1-5-11-19(6-2)12-15-13-22-18(23-15)9-7-14(8-10-18)17(3,4)16(20)21/h14-15H,5-13H2,1-4H3,(H,20,21)
InChIKey
VMUODEDOHPQLOD-UHFFFAOYSA-N
Compound name
2-[3-[[ethyl(propyl)amino]methyl]-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

327.24097 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.24825 181.5
[M+Na]+ 350.23019 182.9
[M-H]- 326.23369 186.4
[M+NH4]+ 345.27479 196.3
[M+K]+ 366.20413 184.1
[M+H-H2O]+ 310.23823 176.2
[M+HCOO]- 372.23917 194.5
[M+CH3COO]- 386.25482 211.6
[M+Na-2H]- 348.21564 182.6
[M]+ 327.24042 180.9
[M]- 327.24152 180.9
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.