CID 5280408

2-(acetamidomethylene)succinate

Structural Information

Molecular Formula
C7H9NO5
SMILES
CC(=O)N/C=C(/CC(=O)O)\C(=O)O
InChI
InChI=1S/C7H9NO5/c1-4(9)8-3-5(7(12)13)2-6(10)11/h3H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/b5-3-
InChIKey
CPBSBMPDIRRVGP-HYXAFXHYSA-N
Compound name
(2Z)-2-(acetamidomethylidene)butanedioic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

6
Patents

187.04807 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.055346 138.3
[M+Na]+ 210.037288 143.5
[M-H]- 186.040794 135.7
[M+NH4]+ 205.081893 155.7
[M+K]+ 226.011228 143.1
[M+H-H2O]+ 170.045330 133.2
[M+HCOO]- 232.046271 157.7
[M+CH3COO]- 246.061921 178.9
[M+Na-2H]- 208.022736 139.0
[M]+ 187.04752142 136.9
[M]- 187.04861858 136.9
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