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 137.1
[M+Na]+ 210.03729 142.7
[M-H]- 186.04079 136.0
[M+NH4]+ 205.08189 155.2
[M+K]+ 226.01123 143.2
[M+H-H2O]+ 170.04533 131.9
[M+HCOO]- 232.04627 158.1
[M+CH3COO]- 246.06192 182.0
[M+Na-2H]- 208.02274 138.5
[M]+ 187.04752 137.8
[M]- 187.04862 137.8
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.