CID 3406453

N-(2-(2-cyanoethoxy)ethyl)-n,n-dimethyl-1-octadecanaminium chloride

Structural Information

Molecular Formula
C25H51N2O
SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)CCOCCC#N
InChI
InChI=1S/C25H51N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-27(2,3)23-25-28-24-20-21-26/h4-20,22-25H2,1-3H3/q+1
InChIKey
SOBNCTFSOOYMRI-UHFFFAOYSA-N
Compound name
2-(2-cyanoethoxy)ethyl-dimethyl-octadecylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.40015 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.40743 201.7
[M+Na]+ 418.38937 209.7
[M+NH4]+ 413.43397 204.7
[M+K]+ 434.36331 198.2
[M-H]- 394.39287 195.7
[M+Na-2H]- 416.37482 200.7
[M]+ 395.39960 200.5
[M]- 395.40070 200.5
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.