CID 20371877

(2e)-4-(carboxymethoxy)-4-oxobut-2-enoic acid

Structural Information

Molecular Formula
C6H6O6
SMILES
C(C(=O)O)OC(=O)/C=C/C(=O)O
InChI
InChI=1S/C6H6O6/c7-4(8)1-2-6(11)12-3-5(9)10/h1-2H,3H2,(H,7,8)(H,9,10)/b2-1+
InChIKey
SELBYDWAQZQFQB-OWOJBTEDSA-N
Compound name
(E)-4-(carboxymethoxy)-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

174.01643 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.023706 131.4
[M+Na]+ 197.005648 138.1
[M-H]- 173.009154 129.1
[M+NH4]+ 192.050253 149.8
[M+K]+ 212.979588 138.0
[M+H-H2O]+ 157.013690 126.8
[M+HCOO]- 219.014631 151.4
[M+CH3COO]- 233.030281 171.9
[M+Na-2H]- 194.991096 133.9
[M]+ 174.01588142 132.7
[M]- 174.01697858 132.7
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