CID 103106

65059-94-1

Structural Information

Molecular Formula
C27H50NO2
SMILES
CCCCCCCCCCCCCC[N+](CC1=CC=CC=C1)(CC(C)O)CC(C)O
InChI
InChI=1S/C27H50NO2/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-28(22-25(2)29,23-26(3)30)24-27-19-16-15-17-20-27/h15-17,19-20,25-26,29-30H,4-14,18,21-24H2,1-3H3/q+1
InChIKey
KWGDWSADXPENDJ-UHFFFAOYSA-N
Compound name
benzyl-bis(2-hydroxypropyl)-tetradecylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

420.38416 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.39144 216.7
[M+Na]+ 443.37338 214.6
[M-H]- 419.37688 215.8
[M+NH4]+ 438.41798 225.6
[M+K]+ 459.34732 204.1
[M+H-H2O]+ 403.38142 210.8
[M+HCOO]- 465.38236 231.0
[M+CH3COO]- 479.39801 226.5
[M+Na-2H]- 441.35883 215.7
[M]+ 420.38361 219.7
[M]- 420.38471 219.7
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

patents stripe