CID 6912887

Olealkonium chloride

Structural Information

Molecular Formula
C27H48N
SMILES
CCCCCCCC/C=C\CCCCCCCC[N+](C)(C)CC1=CC=CC=C1
InChI
InChI=1S/C27H48N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27/h11-12,19-21,23-24H,4-10,13-18,22,25-26H2,1-3H3/q+1/b12-11-
InChIKey
YQALICYOSWOYEG-QXMHVHEDSA-N
Compound name
benzyl-dimethyl-[(Z)-octadec-9-enyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2627
Patents

386.37866 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.38594 207.2
[M+Na]+ 409.36788 218.8
[M+NH4]+ 404.41248 215.2
[M+K]+ 425.34182 207.8
[M-H]- 385.37138 211.7
[M+Na-2H]- 407.35333 212.5
[M]+ 386.37811 210.6
[M]- 386.37921 210.6
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