CID 9939908

Dibehenyldimonium chloride

Structural Information

Molecular Formula
C46H96N
SMILES
CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C46H96N/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47(3,4)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-46H2,1-4H3/q+1
InChIKey
CXVSBABSEYWIJS-UHFFFAOYSA-N
Compound name
di(docosyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3560
Patents

662.7543 Da
Monoisotopic Mass

22.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 663.76158 304.2
[M+Na]+ 685.74352 307.8
[M-H]- 661.74702 282.3
[M+NH4]+ 680.78812 300.7
[M+K]+ 701.71746 311.9
[M+H-H2O]+ 645.75156 294.9
[M+HCOO]- 707.75250 312.5
[M+CH3COO]- 721.76815 285.9
[M+Na-2H]- 683.72897 282.1
[M]+ 662.75375 303.0
[M]- 662.75485 303.0
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