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]+ 188.055346 137.1
[M+Na]+ 210.037288 142.7
[M-H]- 186.040794 136.0
[M+NH4]+ 205.081893 155.2
[M+K]+ 226.011228 143.2
[M+H-H2O]+ 170.045330 131.9
[M+HCOO]- 232.046271 158.1
[M+CH3COO]- 246.061921 182.0
[M+Na-2H]- 208.022736 138.5
[M]+ 187.04752142 137.8
[M]- 187.04861858 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.