CID 176472492

Tp1/4-vinyl-1-cyclohexene dioxide

Structural Information

Molecular Formula
C8H12O5
SMILES
C1CC(C(=O)CC1C(C(=O)O)O)O
InChI
InChI=1S/C8H12O5/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h4-5,7,9,11H,1-3H2,(H,12,13)
InChIKey
FUBFAZDXOISDLK-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(4-hydroxy-3-oxocyclohexyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.06847 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.075746 137.9
[M+Na]+ 211.057688 143.0
[M-H]- 187.061194 137.0
[M+NH4]+ 206.102293 155.2
[M+K]+ 227.031628 141.8
[M+H-H2O]+ 171.065730 133.2
[M+HCOO]- 233.066671 153.3
[M+CH3COO]- 247.082321 174.8
[M+Na-2H]- 209.043136 138.5
[M]+ 188.06792142 132.9
[M]- 188.06901858 132.9
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

No patent data available for this compound.