CID 11018886

4-hydroxycycloheptanone

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

C1CC(CCC(=O)C1)O

InChI

InChI=1S/C7H12O2/c8-6-2-1-3-7(9)5-4-6/h6,8H,1-5H2

InChIKey

OQDFQJVNGGPWAI-UHFFFAOYSA-N

Compound name

4-hydroxycycloheptan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 128.08372 Da
Monoisotopic Mass: 0.1
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]+	129.09100	122.6
[M+Na]+	151.07294	131.2
[M+NH4]+	146.11754	130.3
[M+K]+	167.04688	127.8
[M-H]-	127.07644	123.5
[M+Na-2H]-	149.05839	127.5
[M]+	128.08317	123.9
[M]-	128.08427	123.9

Literature stripe

literature stripe

Patent stripe

patents stripe