CID 86047059

Ns00117023

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CC1(C2CC(C1=O)(CC2O)C)C

InChI

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

InChIKey

QYPAZGZCYSBEOJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
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]+	169.122316	135.8
[M+Na]+	191.104258	145.9
[M-H]-	167.107764	138.3
[M+NH4]+	186.148863	165.4
[M+K]+	207.078198	143.1
[M+H-H2O]+	151.112300	134.2
[M+HCOO]-	213.113241	155.8
[M+CH3COO]-	227.128891	177.9
[M+Na-2H]-	189.089706	140.2
[M]+	168.11449142	136.1
[M]-	168.11558858	136.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.