CID 4425789

131671-81-3

Structural Information

Molecular Formula
C20H44NO2
SMILES
CCCCCCCCCCCCCC[N+](C)(C)CCOCCO
InChI
InChI=1S/C20H44NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21(2,3)17-19-23-20-18-22/h22H,4-20H2,1-3H3/q+1
InChIKey
XKOHZCALNKCRTI-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethoxy)ethyl-dimethyl-tetradecylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.33722 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.34450 191.3
[M+Na]+ 353.32644 192.3
[M-H]- 329.32994 189.4
[M+NH4]+ 348.37104 205.3
[M+K]+ 369.30038 184.0
[M+H-H2O]+ 313.33448 187.2
[M+HCOO]- 375.33542 210.0
[M+CH3COO]- 389.35107 211.9
[M+Na-2H]- 351.31189 194.4
[M]+ 330.33667 197.8
[M]- 330.33777 197.8
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