CID 14139962

3,6-dihydro-2h-pyran-2-carboxylic acid

Structural Information

Molecular Formula
C6H8O3
SMILES
C1C=CCOC1C(=O)O
InChI
InChI=1S/C6H8O3/c7-6(8)5-3-1-2-4-9-5/h1-2,5H,3-4H2,(H,7,8)
InChIKey
OWRKSSDYRPRYGL-UHFFFAOYSA-N
Compound name
3,6-dihydro-2H-pyran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

128.04735 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.05463 123.4
[M+Na]+ 151.03657 134.3
[M+NH4]+ 146.08117 131.4
[M+K]+ 167.01051 130.2
[M-H]- 127.04007 125.4
[M+Na-2H]- 149.02202 128.2
[M]+ 128.04680 125.2
[M]- 128.04790 125.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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