CID 12687

66455-29-6

Structural Information

Molecular Formula
C16H34NO2
SMILES
CCCCCCCCCCCC[N+](C)(C)CC(=O)O
InChI
InChI=1S/C16H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-17(2,3)15-16(18)19/h4-15H2,1-3H3/p+1
InChIKey
DVEKCXOJTLDBFE-UHFFFAOYSA-O
Compound name
carboxymethyl-dodecyl-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

27
References

31202
Patents

272.25894 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.26622 171.6
[M+Na]+ 295.24816 174.4
[M-H]- 271.25166 170.7
[M+NH4]+ 290.29276 187.9
[M+K]+ 311.22210 167.0
[M+H-H2O]+ 255.25620 168.5
[M+HCOO]- 317.25714 190.9
[M+CH3COO]- 331.27279 199.5
[M+Na-2H]- 293.23361 175.6
[M]+ 272.25839 175.2
[M]- 272.25949 175.2
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

patents stripe