CID 3468488

144009-06-3

Structural Information

Molecular Formula
C22H46NO3
SMILES
CCCCCCCCCCCCCC[N+](C)(C)CCOCCOC(=O)C
InChI
InChI=1S/C22H46NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-23(3,4)18-19-25-20-21-26-22(2)24/h5-21H2,1-4H3/q+1
InChIKey
GKBYSUFSEBBYKW-UHFFFAOYSA-N
Compound name
2-(2-acetyloxyethoxy)ethyl-dimethyl-tetradecylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.34778 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.35506 202.6
[M+Na]+ 395.33700 203.3
[M-H]- 371.34050 208.9
[M+NH4]+ 390.38160 218.9
[M+K]+ 411.31094 195.8
[M+H-H2O]+ 355.34504 197.9
[M+HCOO]- 417.34598 233.6
[M+CH3COO]- 431.36163 221.3
[M+Na-2H]- 393.32245 204.1
[M]+ 372.34723 211.7
[M]- 372.34833 211.7
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.