CID 139920212

(3-carboxy-2-tridec-2-enoyloxypropyl)-trimethylazanium

Structural Information

Molecular Formula
C20H38NO4
SMILES
CCCCCCCCCCC=CC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C20H37NO4/c1-5-6-7-8-9-10-11-12-13-14-15-20(24)25-18(16-19(22)23)17-21(2,3)4/h14-15,18H,5-13,16-17H2,1-4H3/p+1
InChIKey
GLVUDTJUNHCDGV-UHFFFAOYSA-O
Compound name
(3-carboxy-2-tridec-2-enoyloxypropyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.2801 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.28738 192.9
[M+Na]+ 379.26932 194.2
[M-H]- 355.27282 199.7
[M+NH4]+ 374.31392 206.6
[M+K]+ 395.24326 186.6
[M+H-H2O]+ 339.27736 189.2
[M+HCOO]- 401.27830 215.0
[M+CH3COO]- 415.29395 213.2
[M+Na-2H]- 377.25477 192.9
[M]+ 356.27955 202.3
[M]- 356.28065 202.3
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.