CID 6436904

Einecs 219-358-6

Structural Information

Molecular Formula
C7H8O4
SMILES
C=CCOC(=O)/C=C/C(=O)O
InChI
InChI=1S/C7H8O4/c1-2-5-11-7(10)4-3-6(8)9/h2-4H,1,5H2,(H,8,9)/b4-3+
InChIKey
PEKZMKOVRVVTTN-ONEGZZNKSA-N
Compound name
(E)-4-oxo-4-prop-2-enoxybut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3247
Patents

156.04225 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.049526 130.3
[M+Na]+ 179.031468 137.5
[M-H]- 155.034974 129.3
[M+NH4]+ 174.076073 150.4
[M+K]+ 195.005408 136.5
[M+H-H2O]+ 139.039510 125.9
[M+HCOO]- 201.040451 152.1
[M+CH3COO]- 215.056101 172.2
[M+Na-2H]- 177.016916 134.0
[M]+ 156.04170142 131.6
[M]- 156.04279858 131.6
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.