CID 103102

65059-92-9

Structural Information

Molecular Formula
C31H58NO2
SMILES
CCCCCCCCCCCCCCCCCC[N+](CC1=CC=CC=C1)(CC(C)O)CC(C)O
InChI
InChI=1S/C31H58NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-32(26-29(2)33,27-30(3)34)28-31-23-20-19-21-24-31/h19-21,23-24,29-30,33-34H,4-18,22,25-28H2,1-3H3/q+1
InChIKey
DYZQCQMBVQIASR-UHFFFAOYSA-N
Compound name
benzyl-bis(2-hydroxypropyl)-octadecylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

476.44675 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.45403 234.4
[M+Na]+ 499.43597 230.6
[M-H]- 475.43947 232.7
[M+NH4]+ 494.48057 241.0
[M+K]+ 515.40991 219.2
[M+H-H2O]+ 459.44401 227.7
[M+HCOO]- 521.44495 247.3
[M+CH3COO]- 535.46060 238.2
[M+Na-2H]- 497.42142 231.4
[M]+ 476.44620 238.9
[M]- 476.44730 238.9
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.