CID 5474096

4-chlorobut-2-en-1-amine hydrochloride

Structural Information

Molecular Formula
C4H8ClN
SMILES
C(/C=C/CCl)N
InChI
InChI=1S/C4H8ClN/c5-3-1-2-4-6/h1-2H,3-4,6H2/b2-1+
InChIKey
DYUZZXXUVYQTQX-OWOJBTEDSA-N
Compound name
(E)-4-chlorobut-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

105.03453 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.041806 119.2
[M+Na]+ 128.023748 127.5
[M-H]- 104.027254 119.1
[M+NH4]+ 123.068353 142.7
[M+K]+ 143.997688 124.6
[M+H-H2O]+ 88.031790 115.9
[M+HCOO]- 150.032731 139.6
[M+CH3COO]- 164.048381 167.5
[M+Na-2H]- 126.009196 126.0
[M]+ 105.03398142 118.8
[M]- 105.03507858 118.8
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