CID 5354909

(2z)-4-(methylamino)-4-oxo-2-butenoic acid

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-IHWYPQMZSA-N
Compound name
(Z)-4-(methylamino)-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

589
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

literature stripe

Patent stripe

patents stripe