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 198.5
[M+Na]+ 387.31078 198.3
[M-H]- 363.31428 198.5
[M+NH4]+ 382.35538 209.8
[M+K]+ 403.28472 188.7
[M+H-H2O]+ 347.31882 193.5
[M+HCOO]- 409.31976 214.2
[M+CH3COO]- 423.33541 214.7
[M+Na-2H]- 385.29623 199.7
[M]+ 364.32101 200.2
[M]- 364.32211 200.2
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.