CID 169396

C10-dichol

Structural Information

Molecular Formula
C18H42N2O2
SMILES
C[N+](C)(CCCCCCCCCC[N+](C)(C)CCO)CCO
InChI
InChI=1S/C18H42N2O2/c1-19(2,15-17-21)13-11-9-7-5-6-8-10-12-14-20(3,4)16-18-22/h21-22H,5-18H2,1-4H3/q+2
InChIKey
GYPLOIGEEGQIPE-UHFFFAOYSA-N
Compound name
2-hydroxyethyl-[10-[2-hydroxyethyl(dimethyl)azaniumyl]decyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.32462 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.33190 180.5
[M+Na]+ 341.31384 181.9
[M-H]- 317.31734 179.5
[M+NH4]+ 336.35844 218.6
[M+K]+ 357.28778 169.0
[M+H-H2O]+ 301.32188 180.0
[M+HCOO]- 363.32282 241.3
[M+CH3COO]- 377.33847 205.0
[M+Na-2H]- 339.29929 188.8
[M]+ 318.32407 183.0
[M]- 318.32517 183.0
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

No patent data available for this compound.