CID 6452009

Vinyl hydrogen succinate

Structural Information

Molecular Formula
C6H8O4
SMILES
C=COC(=O)CCC(=O)O
InChI
InChI=1S/C6H8O4/c1-2-10-6(9)4-3-5(7)8/h2H,1,3-4H2,(H,7,8)
InChIKey
LYHBGVUSOICOJU-UHFFFAOYSA-N
Compound name
4-ethenoxy-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

777
Patents

144.04225 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.049526 127.1
[M+Na]+ 167.031468 134.3
[M-H]- 143.034974 126.2
[M+NH4]+ 162.076073 147.7
[M+K]+ 183.005408 134.2
[M+H-H2O]+ 127.039510 122.7
[M+HCOO]- 189.040451 149.0
[M+CH3COO]- 203.056101 170.8
[M+Na-2H]- 165.016916 131.3
[M]+ 144.04170142 128.8
[M]- 144.04279858 128.8
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

patents stripe