CID 267196

2-hydroxycyclononanone

Structural Information

Molecular Formula

C₉H₁₆O₂

SMILES

C1CCCC(C(=O)CCC1)O

InChI

InChI=1S/C9H16O2/c10-8-6-4-2-1-3-5-7-9(8)11/h8,10H,1-7H2

InChIKey

MNGJLYXSUIUTPJ-UHFFFAOYSA-N

Compound name

2-hydroxycyclononan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 156.11504 Da
Monoisotopic Mass: 1.8
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]+	157.122316	183.1
[M+Na]+	179.104258	185.7
[M-H]-	155.107764	183.4
[M+NH4]+	174.148863	183.6
[M+K]+	195.078198	183.4
[M+H-H2O]+	139.112300	175.0
[M+HCOO]-	201.113241	184.5
[M+CH3COO]-	215.128891	185.4
[M+Na-2H]-	177.089706	186.8
[M]+	156.11449142	184.0
[M]-	156.11558858	184.0

Literature stripe

literature stripe

Patent stripe

patents stripe