CID 134692110

Chebi:141414

Structural Information

Molecular Formula
C7H9NO5
SMILES
CN(/C=C(\CC(=O)O)/C(=O)O)C=O
InChI
InChI=1S/C7H9NO5/c1-8(4-9)3-5(7(12)13)2-6(10)11/h3-4H,2H2,1H3,(H,10,11)(H,12,13)/b5-3+
InChIKey
KAJVKDPSEUVDTF-HWKANZROSA-N
Compound name
(2E)-2-[[formyl(methyl)amino]methylidene]butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.04807 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.05535 139.3
[M+Na]+ 210.03729 145.2
[M+NH4]+ 205.08189 143.1
[M+K]+ 226.01123 144.4
[M-H]- 186.04079 135.0
[M+Na-2H]- 208.02274 138.9
[M]+ 187.04752 138.1
[M]- 187.04862 138.1
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.