CID 64105750

2-cyclopropyl-3,4-dihydro-2h-pyran-4-one

Structural Information

Molecular Formula

C₈H₁₀O₂

SMILES

C1CC1C2CC(=O)C=CO2

InChI

InChI=1S/C8H10O2/c9-7-3-4-10-8(5-7)6-1-2-6/h3-4,6,8H,1-2,5H2

InChIKey

VVVIPFXUHZYBBC-UHFFFAOYSA-N

Compound name

2-cyclopropyl-2,3-dihydropyran-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 138.06808 Da
Monoisotopic Mass: 0.8
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]+	139.07536	128.9
[M+Na]+	161.05730	142.7
[M+NH4]+	156.10190	138.7
[M+K]+	177.03124	138.3
[M-H]-	137.06080	140.3
[M+Na-2H]-	159.04275	138.1
[M]+	138.06753	135.2
[M]-	138.06863	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe