CID 15388649

1-cyclopropyl-2-hydroxypropan-1-one

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

CC(C(=O)C1CC1)O

InChI

InChI=1S/C6H10O2/c1-4(7)6(8)5-2-3-5/h4-5,7H,2-3H2,1H3

InChIKey

IVUQGEMSSKDLDQ-UHFFFAOYSA-N

Compound name

1-cyclopropyl-2-hydroxypropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 114.06808 Da
Monoisotopic Mass: 0.2
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]+	115.075356	121.6
[M+Na]+	137.057298	130.3
[M-H]-	113.060804	125.3
[M+NH4]+	132.101903	138.8
[M+K]+	153.031238	128.9
[M+H-H2O]+	97.065340	116.5
[M+HCOO]-	159.066281	143.1
[M+CH3COO]-	173.081931	171.5
[M+Na-2H]-	135.042746	126.6
[M]+	114.06753142	123.3
[M]-	114.06862858	123.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.