CID 5367880

124378-37-6

Structural Information

Molecular Formula
C5H7NO3
SMILES
CNC(=O)/C=C/C(=O)O
InChI
InChI=1S/C5H7NO3/c1-6-4(7)2-3-5(8)9/h2-3H,1H3,(H,6,7)(H,8,9)/b3-2+
InChIKey
DFQUBYCHLQAFOW-NSCUHMNNSA-N
Compound name
(E)-4-(methylamino)-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

232
Patents

129.04259 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.049866 124.6
[M+Na]+ 152.031808 131.5
[M-H]- 128.035314 123.8
[M+NH4]+ 147.076413 145.5
[M+K]+ 168.005748 131.0
[M+H-H2O]+ 112.039850 120.0
[M+HCOO]- 174.040791 147.6
[M+CH3COO]- 188.056441 169.9
[M+Na-2H]- 150.017256 129.4
[M]+ 129.04204142 123.5
[M]- 129.04313858 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

No patent data available for this compound.