CID 107529

4237-07-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
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 129.5
[M+Na]+ 171.07853 143.0
[M+NH4]+ 166.12313 139.8
[M+K]+ 187.05247 136.5
[M-H]- 147.08203 132.0
[M+Na-2H]- 169.06398 135.9
[M]+ 148.08876 132.8
[M]- 148.08986 132.8
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