CID 106130

67907-22-6

Structural Information

Molecular Formula
C27H48NO2
SMILES
C=CCCCCCCCCCCCCCC[N+](CCO)(CCO)CC1=CC=CC=C1
InChI
InChI=1S/C27H48NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-28(22-24-29,23-25-30)26-27-19-16-15-17-20-27/h2,15-17,19-20,29-30H,1,3-14,18,21-26H2/q+1
InChIKey
HIVREVFZSAQNOS-UHFFFAOYSA-N
Compound name
benzyl-hexadec-15-enyl-bis(2-hydroxyethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.3685 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.37578 214.5
[M+Na]+ 441.35772 213.3
[M-H]- 417.36122 213.5
[M+NH4]+ 436.40232 223.6
[M+K]+ 457.33166 201.1
[M+H-H2O]+ 401.36576 208.4
[M+HCOO]- 463.36670 231.0
[M+CH3COO]- 477.38235 224.3
[M+Na-2H]- 439.34317 216.1
[M]+ 418.36795 218.2
[M]- 418.36905 218.2
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.