CID 72544043

Ns00116979

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CC1(C2CCC(C2O)(C1=O)C)C

InChI

InChI=1S/C10H16O2/c1-9(2)6-4-5-10(3,7(6)11)8(9)12/h6-7,11H,4-5H2,1-3H3

InChIKey

VTLIGYFZUGDYFX-UHFFFAOYSA-N

Compound name

7-hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 168.11504 Da
Monoisotopic Mass: 1.1
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]+	169.12232	136.3
[M+Na]+	191.10426	144.9
[M+NH4]+	186.14886	148.0
[M+K]+	207.07820	139.7
[M-H]-	167.10776	135.8
[M+Na-2H]-	189.08971	139.6
[M]+	168.11449	137.4
[M]-	168.11559	137.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.