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: 86
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	122.6
[M+Na]+	151.03657	128.8
[M-H]-	127.04007	125.3
[M+NH4]+	146.08117	142.4
[M+K]+	167.01051	129.6
[M+H-H2O]+	111.04461	117.6
[M+HCOO]-	173.04555	142.8
[M+CH3COO]-	187.06120	166.3
[M+Na-2H]-	149.02202	129.8
[M]+	128.04680	120.3
[M]-	128.04790	120.3

Literature stripe

literature stripe

Patent stripe

patents stripe