CID 103108

65059-95-2

Structural Information

Molecular Formula
C23H42NO2
SMILES
CCCCCCCCCC[N+](CC1=CC=CC=C1)(CC(C)O)CC(C)O
InChI
InChI=1S/C23H42NO2/c1-4-5-6-7-8-9-10-14-17-24(18-21(2)25,19-22(3)26)20-23-15-12-11-13-16-23/h11-13,15-16,21-22,25-26H,4-10,14,17-20H2,1-3H3/q+1
InChIKey
BKWLVKJERIKGGK-UHFFFAOYSA-N
Compound name
benzyl-decyl-bis(2-hydroxypropyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.32156 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.32884 195.9
[M+Na]+ 387.31078 205.5
[M+NH4]+ 382.35538 202.7
[M+K]+ 403.28472 199.0
[M-H]- 363.31428 198.4
[M+Na-2H]- 385.29623 199.6
[M]+ 364.32101 198.2
[M]- 364.32211 198.2
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.