CID 14739038

85373-69-9

Structural Information

Molecular Formula

C₇H₁₀O₃

SMILES

COC(=O)C1=CCCOC1

InChI

InChI=1S/C7H10O3/c1-9-7(8)6-3-2-4-10-5-6/h3H,2,4-5H2,1H3

InChIKey

XWDSUYDGAOYBES-UHFFFAOYSA-N

Compound name

methyl 3,6-dihydro-2H-pyran-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 142.06299 Da
Monoisotopic Mass: 0.3
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]+	143.07027	126.7
[M+Na]+	165.05221	133.0
[M-H]-	141.05571	130.7
[M+NH4]+	160.09681	146.7
[M+K]+	181.02615	134.5
[M+H-H2O]+	125.06025	121.3
[M+HCOO]-	187.06119	148.1
[M+CH3COO]-	201.07684	171.3
[M+Na-2H]-	163.03766	133.9
[M]+	142.06244	126.6
[M]-	142.06354	126.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe