CID 5280451

Maleamic acid

Structural Information

Molecular Formula
C4H5NO3
SMILES
C(=C\C(=O)O)\C(=O)N
InChI
InChI=1S/C4H5NO3/c5-3(6)1-2-4(7)8/h1-2H,(H2,5,6)(H,7,8)/b2-1-
InChIKey
FSQQTNAZHBEJLS-UPHRSURJSA-N
Compound name
(Z)-4-amino-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

26
References

15620
Patents

115.02694 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.03422 120.3
[M+Na]+ 138.01616 127.5
[M-H]- 114.01966 119.1
[M+NH4]+ 133.06076 141.4
[M+K]+ 153.99010 126.9
[M+H-H2O]+ 98.024200 115.9
[M+HCOO]- 160.02514 142.9
[M+CH3COO]- 174.04079 166.9
[M+Na-2H]- 136.00161 124.5
[M]+ 115.02639 117.9
[M]- 115.02749 117.9
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