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

10662
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 271.9
[M+Na]+ 569.58702 278.2
[M-H]- 545.59052 254.6
[M+NH4]+ 564.63162 269.2
[M+K]+ 585.56096 278.2
[M+H-H2O]+ 529.59506 263.7
[M+HCOO]- 591.59600 284.8
[M+CH3COO]- 605.61165 260.7
[M+Na-2H]- 567.57247 254.3
[M]+ 546.59725 271.2
[M]- 546.59835 271.2
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