CID 77964

Surfactive v 14

Structural Information

Molecular Formula
C19H40NO2
SMILES
CCCCCCCCCCCCCC(=O)OCC[N+](C)(C)C
InChI
InChI=1S/C19H40NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-19(21)22-18-17-20(2,3)4/h5-18H2,1-4H3/q+1
InChIKey
HYPHVSJUVHDHIL-UHFFFAOYSA-N
Compound name
trimethyl(2-tetradecanoyloxyethyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

560
Patents

314.3059 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.31318 185.7
[M+Na]+ 337.29512 187.7
[M-H]- 313.29862 185.6
[M+NH4]+ 332.33972 201.1
[M+K]+ 353.26906 180.5
[M+H-H2O]+ 297.30316 181.8
[M+HCOO]- 359.30410 205.5
[M+CH3COO]- 373.31975 210.6
[M+Na-2H]- 335.28057 188.6
[M]+ 314.30535 192.3
[M]- 314.30645 192.3
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