CID 173220

Dtxsid6052825

Structural Information

Molecular Formula
C15H31N2O3
SMILES
CCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)O
InChI
InChI=1S/C15H30N2O3/c1-4-5-6-7-8-10-14(18)16-11-9-12-17(2,3)13-15(19)20/h4-13H2,1-3H3,(H-,16,18,19,20)/p+1
InChIKey
SUZKAIPUWCLPCH-UHFFFAOYSA-O
Compound name
carboxymethyl-dimethyl-[3-(octanoylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1780
Patents

287.23346 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.24074 171.4
[M+Na]+ 310.22268 173.6
[M-H]- 286.22618 170.6
[M+NH4]+ 305.26728 186.5
[M+K]+ 326.19662 166.9
[M+H-H2O]+ 270.23072 167.9
[M+HCOO]- 332.23166 191.5
[M+CH3COO]- 346.24731 202.2
[M+Na-2H]- 308.20813 175.3
[M]+ 287.23291 173.6
[M]- 287.23401 173.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe