CID 116682

2-(prop-2-enamido)butanedioic acid

Structural Information

Molecular Formula
C7H9NO5
SMILES
C=CC(=O)NC(CC(=O)O)C(=O)O
InChI
InChI=1S/C7H9NO5/c1-2-5(9)8-4(7(12)13)3-6(10)11/h2,4H,1,3H2,(H,8,9)(H,10,11)(H,12,13)
InChIKey
UILJLCFPJOIGLP-UHFFFAOYSA-N
Compound name
2-(prop-2-enoylamino)butanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

626
Patents

187.04807 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.055346 138.0
[M+Na]+ 210.037288 143.2
[M-H]- 186.040794 135.4
[M+NH4]+ 205.081893 155.4
[M+K]+ 226.011228 142.8
[M+H-H2O]+ 170.045330 132.9
[M+HCOO]- 232.046271 157.4
[M+CH3COO]- 246.061921 179.6
[M+Na-2H]- 208.022736 138.8
[M]+ 187.04752142 136.7
[M]- 187.04861858 136.7
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