CID 20569293

1342823-44-2

Structural Information

Molecular Formula

C₈H₁₂O₂

SMILES

C1CC1C2CC(=O)CCO2

InChI

InChI=1S/C8H12O2/c9-7-3-4-10-8(5-7)6-1-2-6/h6,8H,1-5H2

InChIKey

HHMHCKIAEBFNHY-UHFFFAOYSA-N

Compound name

2-cyclopropyloxan-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 140.08372 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]+	141.090996	128.3
[M+Na]+	163.072938	136.3
[M-H]-	139.076444	136.3
[M+NH4]+	158.117543	143.7
[M+K]+	179.046878	136.1
[M+H-H2O]+	123.080980	122.0
[M+HCOO]-	185.081921	148.9
[M+CH3COO]-	199.097571	175.9
[M+Na-2H]-	161.058386	134.9
[M]+	140.08317142	128.0
[M]-	140.08426858	128.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe