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

90
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 119.2
[M+Na]+ 128.02375 127.5
[M-H]- 104.02725 119.1
[M+NH4]+ 123.06835 142.7
[M+K]+ 143.99769 124.6
[M+H-H2O]+ 88.031790 115.9
[M+HCOO]- 150.03273 139.6
[M+CH3COO]- 164.04838 167.5
[M+Na-2H]- 126.00920 126.0
[M]+ 105.03398 118.8
[M]- 105.03508 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