CID 6912862

Dioleyldimethylammonium chloride

Structural Information

Molecular Formula
C38H76N
SMILES
CCCCCCCC/C=C\CCCCCCCC[N+](CCCCCCCC/C=C\CCCCCCCC)(C)C
InChI
InChI=1S/C38H76N/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22H,5-18,23-38H2,1-4H3/q+1/b21-19-,22-20-
InChIKey
RGLFGXMUJWSIQF-WRBBJXAJSA-N
Compound name
dimethyl-bis[(Z)-octadec-9-enyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

10490
Patents

546.5978 Da
Monoisotopic Mass

16.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.60508 264.7
[M+Na]+ 569.58702 266.7
[M+NH4]+ 564.63162 223.9
[M+K]+ 585.56096 270.1
[M-H]- 545.59052 206.6
[M+Na-2H]- 567.57247 251.5
[M]+ 546.59725 262.9
[M]- 546.59835 262.9
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