CID 44149148

3-amino-2-chlorobutenamide

Structural Information

Molecular Formula
C4H7ClN2O
SMILES
C/C(=C(/C(=O)N)\Cl)/N
InChI
InChI=1S/C4H7ClN2O/c1-2(6)3(5)4(7)8/h6H2,1H3,(H2,7,8)/b3-2+
InChIKey
CHOHOEHYARPUIR-NSCUHMNNSA-N
Compound name
(E)-3-amino-2-chlorobut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

134.02469 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.03197 126.8
[M+Na]+ 157.01391 133.8
[M-H]- 133.01741 126.4
[M+NH4]+ 152.05851 148.2
[M+K]+ 172.98785 131.7
[M+H-H2O]+ 117.02195 123.1
[M+HCOO]- 179.02289 145.2
[M+CH3COO]- 193.03854 175.4
[M+Na-2H]- 154.99936 128.7
[M]+ 134.02414 123.4
[M]- 134.02524 123.4
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