CID 139026615

2361634-99-1

Structural Information

Molecular Formula
C8H12O4
SMILES
COC(=O)C1(CC=CCO1)CO
InChI
InChI=1S/C8H12O4/c1-11-7(10)8(6-9)4-2-3-5-12-8/h2-3,9H,4-6H2,1H3
InChIKey
SKLGLCDFXVLJMB-UHFFFAOYSA-N
Compound name
methyl 6-(hydroxymethyl)-2,5-dihydropyran-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.07356 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08084 134.6
[M+Na]+ 195.06278 140.9
[M-H]- 171.06628 137.3
[M+NH4]+ 190.10738 154.6
[M+K]+ 211.03672 141.9
[M+H-H2O]+ 155.07082 129.9
[M+HCOO]- 217.07176 154.3
[M+CH3COO]- 231.08741 173.4
[M+Na-2H]- 193.04823 141.9
[M]+ 172.07301 134.8
[M]- 172.07411 134.8
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.