CID 106132

67907-24-8

Structural Information

Molecular Formula
C25H44NO2
SMILES
C=CCCCCCCCCCCCC[N+](CCO)(CCO)CC1=CC=CC=C1
InChI
InChI=1S/C25H44NO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-26(20-22-27,21-23-28)24-25-17-14-13-15-18-25/h2,13-15,17-18,27-28H,1,3-12,16,19-24H2/q+1
InChIKey
VHFAWCKEZULMQY-UHFFFAOYSA-N
Compound name
benzyl-bis(2-hydroxyethyl)-tetradec-13-enylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.33722 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.34450 205.7
[M+Na]+ 413.32644 205.3
[M-H]- 389.32994 205.1
[M+NH4]+ 408.37104 215.9
[M+K]+ 429.30038 193.6
[M+H-H2O]+ 373.33448 200.0
[M+HCOO]- 435.33542 222.9
[M+CH3COO]- 449.35107 218.4
[M+Na-2H]- 411.31189 208.3
[M]+ 390.33667 208.7
[M]- 390.33777 208.7
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.