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]+ 175.02371 131.4
[M+Na]+ 197.00565 138.1
[M-H]- 173.00915 129.1
[M+NH4]+ 192.05025 149.8
[M+K]+ 212.97959 138.0
[M+H-H2O]+ 157.01369 126.8
[M+HCOO]- 219.01463 151.4
[M+CH3COO]- 233.03028 171.9
[M+Na-2H]- 194.99110 133.9
[M]+ 174.01588 132.7
[M]- 174.01698 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