CID 59531

102571-39-1

Structural Information

Molecular Formula
C22H40NO2
SMILES
CCCCCCCCCCC[N+](CCO)(CCO)CC1=CC=CC=C1
InChI
InChI=1S/C22H40NO2/c1-2-3-4-5-6-7-8-9-13-16-23(17-19-24,18-20-25)21-22-14-11-10-12-15-22/h10-12,14-15,24-25H,2-9,13,16-21H2,1H3/q+1
InChIKey
KROUHNGENLTKPH-UHFFFAOYSA-N
Compound name
benzyl-bis(2-hydroxyethyl)-undecylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.3059 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.31318 191.7
[M+Na]+ 373.29512 202.2
[M+NH4]+ 368.33972 198.9
[M+K]+ 389.26906 194.2
[M-H]- 349.29862 194.6
[M+Na-2H]- 371.28057 196.3
[M]+ 350.30535 194.2
[M]- 350.30645 194.2
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.