CID 12511667

31518-14-6

Structural Information

Molecular Formula

C₆H₈O₃

SMILES

C1CC=C(OC1)C(=O)O

InChI

InChI=1S/C6H8O3/c7-6(8)5-3-1-2-4-9-5/h3H,1-2,4H2,(H,7,8)

InChIKey

OXUPSEKWDOSMIN-UHFFFAOYSA-N

Compound name

3,4-dihydro-2H-pyran-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 80
Patents: 128.04735 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe