CID 55299928

5-methyl-2-oxooxolane-3-carboxylic acid

Structural Information

Molecular Formula
C6H8O4
SMILES
CC1CC(C(=O)O1)C(=O)O
InChI
InChI=1S/C6H8O4/c1-3-2-4(5(7)8)6(9)10-3/h3-4H,2H2,1H3,(H,7,8)
InChIKey
IDQXNIBOTPWGCF-UHFFFAOYSA-N
Compound name
5-methyl-2-oxooxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

144.04225 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.049526 125.2
[M+Na]+ 167.031468 133.3
[M-H]- 143.034974 128.4
[M+NH4]+ 162.076073 146.5
[M+K]+ 183.005408 133.9
[M+H-H2O]+ 127.039510 121.1
[M+HCOO]- 189.040451 146.3
[M+CH3COO]- 203.056101 170.0
[M+Na-2H]- 165.016916 128.9
[M]+ 144.04170142 125.0
[M]- 144.04279858 125.0
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