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
2
Annotation Hits

0
References

102
Patents

170.0579 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06518 130.6
[M+Na]+ 193.04712 139.0
[M-H]- 169.05062 134.1
[M+NH4]+ 188.09172 151.3
[M+K]+ 209.02106 139.6
[M+H-H2O]+ 153.05516 126.6
[M+HCOO]- 215.05610 150.5
[M+CH3COO]- 229.07175 175.6
[M+Na-2H]- 191.03257 136.9
[M]+ 170.05735 131.0
[M]- 170.05845 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