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
3
Annotation Hits

0
References

4874
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 180.9
[M+Na]+ 323.27947 182.8
[M-H]- 299.28297 179.5
[M+NH4]+ 318.32407 196.0
[M+K]+ 339.25341 174.9
[M+H-H2O]+ 283.28751 177.4
[M+HCOO]- 345.28845 199.5
[M+CH3COO]- 359.30410 205.5
[M+Na-2H]- 321.26492 183.9
[M]+ 300.28970 185.2
[M]- 300.29080 185.2
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