CID 103471

65059-64-5

Structural Information

Molecular Formula
C31H56NO2
SMILES
CC(C[N+](CCCCCCCCCCCCCCCCC=C)(CC1=CC=CC=C1)CC(C)O)O
InChI
InChI=1S/C31H56NO2/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/h4,19-21,23-24,29-30,33-34H,1,5-18,22,25-28H2,2-3H3/q+1
InChIKey
OVOUPOOLVVJORK-UHFFFAOYSA-N
Compound name
benzyl-bis(2-hydroxypropyl)-octadec-17-enylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.4311 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.43838 233.0
[M+Na]+ 497.42032 229.5
[M-H]- 473.42382 231.3
[M+NH4]+ 492.46492 239.6
[M+K]+ 513.39426 217.5
[M+H-H2O]+ 457.42836 226.4
[M+HCOO]- 519.42930 246.1
[M+CH3COO]- 533.44495 237.3
[M+Na-2H]- 495.40577 230.1
[M]+ 474.43055 236.8
[M]- 474.43165 236.8
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.