CID 44145034

Einecs 308-783-3

Structural Information

Molecular Formula
C18H35N2O3
SMILES
CCCCCCCC/C=C/C(=O)NCCC[N+](C)(C)CC(=O)O
InChI
InChI=1S/C18H34N2O3/c1-4-5-6-7-8-9-10-11-13-17(21)19-14-12-15-20(2,3)16-18(22)23/h11,13H,4-10,12,14-16H2,1-3H3,(H-,19,21,22,23)/p+1/b13-11+
InChIKey
PRPCTDUSCUCUDX-ACCUITESSA-O
Compound name
carboxymethyl-dimethyl-[3-[[(E)-undec-2-enoyl]amino]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

12
Patents

327.26477 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.27205 183.9
[M+Na]+ 350.25399 185.2
[M-H]- 326.25749 182.6
[M+NH4]+ 345.29859 206.2
[M+K]+ 366.22793 177.1
[M+H-H2O]+ 310.26203 179.9
[M+HCOO]- 372.26297 218.8
[M+CH3COO]- 386.27862 209.5
[M+Na-2H]- 348.23944 186.3
[M]+ 327.26422 186.4
[M]- 327.26532 186.4
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.