CID 82467

10226-28-5

Structural Information

Molecular Formula

C₉H₁₄O₃

SMILES

CCOC(=O)C1=C(OCCC1)C

InChI

InChI=1S/C9H14O3/c1-3-11-9(10)8-5-4-6-12-7(8)2/h3-6H2,1-2H3

InChIKey

BWVSWJMSYLYIJA-UHFFFAOYSA-N

Compound name

ethyl 6-methyl-3,4-dihydro-2H-pyran-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 170.0943 Da
Monoisotopic Mass: 1.5
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]+	171.10158	135.5
[M+Na]+	193.08352	141.9
[M-H]-	169.08702	139.5
[M+NH4]+	188.12812	154.7
[M+K]+	209.05746	142.9
[M+H-H2O]+	153.09156	129.9
[M+HCOO]-	215.09250	156.2
[M+CH3COO]-	229.10815	178.5
[M+Na-2H]-	191.06897	140.9
[M]+	170.09375	136.5
[M]-	170.09485	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe