CID 6912866

Oleyltrimethylammonium chloride

Structural Information

Molecular Formula
C21H44N
SMILES
CCCCCCCC/C=C\CCCCCCCC[N+](C)(C)C
InChI
InChI=1S/C21H44N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4/h12-13H,5-11,14-21H2,1-4H3/q+1/b13-12-
InChIKey
QYWVQMLYIXYLRE-SEYXRHQNSA-N
Compound name
trimethyl-[(Z)-octadec-9-enyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2365
Patents

310.34738 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.35466 187.7
[M+Na]+ 333.33660 189.2
[M-H]- 309.34010 187.2
[M+NH4]+ 328.38120 203.5
[M+K]+ 349.31054 180.1
[M+H-H2O]+ 293.34464 183.7
[M+HCOO]- 355.34558 207.3
[M+CH3COO]- 369.36123 212.5
[M+Na-2H]- 331.32205 190.6
[M]+ 310.34683 192.9
[M]- 310.34793 192.9
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