CID 64673

2601-33-4

Structural Information

Molecular Formula
C18H38NO2
SMILES
CCCCCCCCCCCCCC[N+](C)(C)CC(=O)O
InChI
InChI=1S/C18H37NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19(2,3)17-18(20)21/h4-17H2,1-3H3/p+1
InChIKey
KKMIHKCGXQMFEU-UHFFFAOYSA-O
Compound name
carboxymethyl-dimethyl-tetradecylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4839
Patents

300.29025 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.29753 178.4
[M+Na]+ 323.27947 187.0
[M+NH4]+ 318.32407 184.9
[M+K]+ 339.25341 180.9
[M-H]- 299.28297 178.6
[M+Na-2H]- 321.26492 179.9
[M]+ 300.28970 179.8
[M]- 300.29080 179.8
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