CID 198592

3,4-dihydro-2,2-dimethyl-4-oxo-2h-pyran-6-carboxylic acid

Structural Information

Molecular Formula
C8H10O4
SMILES
CC1(CC(=O)C=C(O1)C(=O)O)C
InChI
InChI=1S/C8H10O4/c1-8(2)4-5(9)3-6(12-8)7(10)11/h3H,4H2,1-2H3,(H,10,11)
InChIKey
ANKQOBXQEHGUJT-UHFFFAOYSA-N
Compound name
2,2-dimethyl-4-oxo-3H-pyran-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

103
Patents

170.0579 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.065176 130.6
[M+Na]+ 193.047118 139.0
[M-H]- 169.050624 134.1
[M+NH4]+ 188.091723 151.3
[M+K]+ 209.021058 139.6
[M+H-H2O]+ 153.055160 126.6
[M+HCOO]- 215.056101 150.5
[M+CH3COO]- 229.071751 175.6
[M+Na-2H]- 191.032566 136.9
[M]+ 170.05735142 131.0
[M]- 170.05844858 131.0
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