CID 95603

6936-48-7

Structural Information

Molecular Formula
C5H7NO3
SMILES
CNC(=O)C=CC(=O)O
InChI
InChI=1S/C5H7NO3/c1-6-4(7)2-3-5(8)9/h2-3H,1H3,(H,6,7)(H,8,9)
InChIKey
DFQUBYCHLQAFOW-UHFFFAOYSA-N
Compound name
4-(methylamino)-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

709
Patents

129.04259 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04987 124.6
[M+Na]+ 152.03181 131.5
[M-H]- 128.03531 123.8
[M+NH4]+ 147.07641 145.5
[M+K]+ 168.00575 131.0
[M+H-H2O]+ 112.03985 120.0
[M+HCOO]- 174.04079 147.6
[M+CH3COO]- 188.05644 169.9
[M+Na-2H]- 150.01726 129.4
[M]+ 129.04204 123.5
[M]- 129.04314 123.5
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