CID 5281932

(2e)-2-(methoxycarbonylmethyl)but-2-enedioic acid

Structural Information

Molecular Formula
C7H8O6
SMILES
COC(=O)C/C(=C\C(=O)O)/C(=O)O
InChI
InChI=1S/C7H8O6/c1-13-6(10)3-4(7(11)12)2-5(8)9/h2H,3H2,1H3,(H,8,9)(H,11,12)/b4-2+
InChIKey
MRNZYUAGJLJQAM-DUXPYHPUSA-N
Compound name
(E)-2-(2-methoxy-2-oxoethyl)but-2-enedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

188.03209 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.03937 135.9
[M+Na]+ 211.02131 142.0
[M-H]- 187.02481 133.5
[M+NH4]+ 206.06591 153.6
[M+K]+ 226.99525 142.2
[M+H-H2O]+ 171.02935 131.3
[M+HCOO]- 233.03029 154.6
[M+CH3COO]- 247.04594 175.9
[M+Na-2H]- 209.00676 136.7
[M]+ 188.03154 136.9
[M]- 188.03264 136.9
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

patents stripe