CID 44153749

(1)-tetrahydro-2,2-dimethyl-5-oxo-3-furoic acid

Structural Information

Molecular Formula
C7H8O4
SMILES
CC1(C(=CC(=O)O1)C(=O)O)C
InChI
InChI=1S/C7H8O4/c1-7(2)4(6(9)10)3-5(8)11-7/h3H,1-2H3,(H,9,10)
InChIKey
ZFCPPVIJDJWLNW-UHFFFAOYSA-N
Compound name
2,2-dimethyl-5-oxofuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.04225 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.049526 125.9
[M+Na]+ 179.031468 135.6
[M-H]- 155.034974 129.8
[M+NH4]+ 174.076073 149.0
[M+K]+ 195.005408 136.0
[M+H-H2O]+ 139.039510 122.9
[M+HCOO]- 201.040451 148.3
[M+CH3COO]- 215.056101 172.2
[M+Na-2H]- 177.016916 131.6
[M]+ 156.04170142 128.0
[M]- 156.04279858 128.0
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

No patent data available for this compound.