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 189.3
[M+Na]+ 359.27947 189.9
[M-H]- 335.28297 189.7
[M+NH4]+ 354.32407 201.8
[M+K]+ 375.25341 180.8
[M+H-H2O]+ 319.28751 184.7
[M+HCOO]- 381.28845 205.7
[M+CH3COO]- 395.30410 208.8
[M+Na-2H]- 357.26492 191.6
[M]+ 336.28970 190.3
[M]- 336.29080 190.3
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.