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

2196
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 185.9
[M+Na]+ 333.33660 195.8
[M+NH4]+ 328.38120 193.6
[M+K]+ 349.31054 186.8
[M-H]- 309.34010 187.9
[M+Na-2H]- 331.32205 188.5
[M]+ 310.34683 188.2
[M]- 310.34793 188.2
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

patents stripe