CID 103104

65059-93-0

Structural Information

Molecular Formula
C21H38NO2
SMILES
CCCCCCCC[N+](CC1=CC=CC=C1)(CC(C)O)CC(C)O
InChI
InChI=1S/C21H38NO2/c1-4-5-6-7-8-12-15-22(16-19(2)23,17-20(3)24)18-21-13-10-9-11-14-21/h9-11,13-14,19-20,23-24H,4-8,12,15-18H2,1-3H3/q+1
InChIKey
LFWRBFHRIKVEST-UHFFFAOYSA-N
Compound name
benzyl-bis(2-hydroxypropyl)-octylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.29025 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.29753 187.0
[M+Na]+ 359.27947 197.0
[M+NH4]+ 354.32407 194.1
[M+K]+ 375.25341 191.0
[M-H]- 335.28297 189.5
[M+Na-2H]- 357.26492 191.2
[M]+ 336.28970 189.4
[M]- 336.29080 189.4
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.