CID 52002

73663-98-6

Structural Information

Molecular Formula
C22H43ClN
SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)CC#CCCl
InChI
InChI=1S/C22H43ClN/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24(2,3)22-19-17-20-23/h4-16,18,20-22H2,1-3H3/q+1
InChIKey
KFRDMULBEMHUGZ-UHFFFAOYSA-N
Compound name
4-chlorobut-2-ynyl-hexadecyl-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.3084 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.31568 191.2
[M+Na]+ 379.29762 196.0
[M-H]- 355.30112 190.2
[M+NH4]+ 374.34222 204.5
[M+K]+ 395.27156 184.7
[M+H-H2O]+ 339.30566 181.9
[M+HCOO]- 401.30660 201.4
[M+CH3COO]- 415.32225 222.0
[M+Na-2H]- 377.28307 192.7
[M]+ 356.30785 192.7
[M]- 356.30895 192.7
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

No patent data available for this compound.