CID 5474093

(4-chloro-2-butenyl)trimethylammonium chloride

Structural Information

Molecular Formula
C7H15ClN
SMILES
C[N+](C)(C)C/C=C/CCl
InChI
InChI=1S/C7H15ClN/c1-9(2,3)7-5-4-6-8/h4-5H,6-7H2,1-3H3/q+1/b5-4+
InChIKey
XKLFPKRQQZDJAJ-SNAWJCMRSA-N
Compound name
[(E)-4-chlorobut-2-enyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

39
Patents

148.08931 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.09659 129.0
[M+Na]+ 171.07853 136.9
[M-H]- 147.08203 130.9
[M+NH4]+ 166.12313 152.0
[M+K]+ 187.05247 129.5
[M+H-H2O]+ 131.08657 128.6
[M+HCOO]- 193.08751 148.7
[M+CH3COO]- 207.10316 173.9
[M+Na-2H]- 169.06398 138.8
[M]+ 148.08876 130.6
[M]- 148.08986 130.6
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