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

47
Patents

105.03453 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.04181 117.2
[M+Na]+ 128.02375 128.5
[M+NH4]+ 123.06835 126.3
[M+K]+ 143.99769 121.8
[M-H]- 104.02725 117.8
[M+Na-2H]- 126.00920 122.3
[M]+ 105.03398 119.0
[M]- 105.03508 119.0
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

No patent data available for this compound.