CID 4159511

144650-69-1

Structural Information

Molecular Formula
C21H43N2O
SMILES
CCCCCCCCCCCCCC[N+](C)(C)CCOCCC#N
InChI
InChI=1S/C21H43N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-23(2,3)19-21-24-20-16-17-22/h4-16,18-21H2,1-3H3/q+1
InChIKey
HBQSEUPYCZAYQL-UHFFFAOYSA-N
Compound name
2-(2-cyanoethoxy)ethyl-dimethyl-tetradecylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.33752 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.34480 185.9
[M+Na]+ 362.32674 194.7
[M+NH4]+ 357.37134 189.5
[M+K]+ 378.30068 184.0
[M-H]- 338.33024 180.1
[M+Na-2H]- 360.31219 185.9
[M]+ 339.33697 184.9
[M]- 339.33807 184.9
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.