CID 139947494

(3-carboxy-2-undec-9-enoyloxypropyl)-trimethylazanium

Structural Information

Molecular Formula
C18H34NO4
SMILES
CC=CCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C18H33NO4/c1-5-6-7-8-9-10-11-12-13-18(22)23-16(14-17(20)21)15-19(2,3)4/h5-6,16H,7-15H2,1-4H3/p+1
InChIKey
NJRZWVGRMMLARR-UHFFFAOYSA-O
Compound name
(3-carboxy-2-undec-9-enoyloxypropyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.24878 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.25606 183.6
[M+Na]+ 351.23800 185.7
[M-H]- 327.24150 182.5
[M+NH4]+ 346.28260 199.1
[M+K]+ 367.21194 178.6
[M+H-H2O]+ 311.24604 180.2
[M+HCOO]- 373.24698 208.2
[M+CH3COO]- 387.26263 207.2
[M+Na-2H]- 349.22345 184.7
[M]+ 328.24823 187.9
[M]- 328.24933 187.9
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

No patent data available for this compound.