CID 5355656

Maleamide

Structural Information

Molecular Formula
C4H6N2O2
SMILES
C(=C\C(=O)N)\C(=O)N
InChI
InChI=1S/C4H6N2O2/c5-3(7)1-2-4(6)8/h1-2H,(H2,5,7)(H2,6,8)/b2-1-
InChIKey
BSSNZUFKXJJCBG-UPHRSURJSA-N
Compound name
(Z)-but-2-enediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8413
Patents

114.04293 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.05021 121.4
[M+Na]+ 137.03215 128.2
[M-H]- 113.03565 121.1
[M+NH4]+ 132.07675 142.7
[M+K]+ 153.00609 127.7
[M+H-H2O]+ 97.040190 116.4
[M+HCOO]- 159.04113 145.7
[M+CH3COO]- 173.05678 171.8
[M+Na-2H]- 135.01760 125.2
[M]+ 114.04238 117.6
[M]- 114.04348 117.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe