CID 166000570

4-methyl-5,6-dihydro-2h-pyran-3-carboxylic acid

Structural Information

Molecular Formula
C7H10O3
SMILES
CC1=C(COCC1)C(=O)O
InChI
InChI=1S/C7H10O3/c1-5-2-3-10-4-6(5)7(8)9/h2-4H2,1H3,(H,8,9)
InChIKey
TYKIUSMKPCGAPY-UHFFFAOYSA-N
Compound name
4-methyl-3,6-dihydro-2H-pyran-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.06299 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.07027 126.7
[M+Na]+ 165.05221 133.5
[M-H]- 141.05571 129.7
[M+NH4]+ 160.09681 146.3
[M+K]+ 181.02615 134.0
[M+H-H2O]+ 125.06025 121.8
[M+HCOO]- 187.06119 146.5
[M+CH3COO]- 201.07684 170.5
[M+Na-2H]- 163.03766 132.7
[M]+ 142.06244 125.2
[M]- 142.06354 125.2
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.