CID 129636129

Oxyfenchon

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CC1(C(=O)C2(CCC1(C2)O)C)C

InChI

InChI=1S/C10H16O2/c1-8(2)7(11)9(3)4-5-10(8,12)6-9/h12H,4-6H2,1-3H3

InChIKey

XYQIHUFLAHGMEY-UHFFFAOYSA-N

Compound name

4-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: 1.0
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	135.4
[M+Na]+	191.104258	145.7
[M-H]-	167.107764	138.0
[M+NH4]+	186.148863	166.7
[M+K]+	207.078198	142.8
[M+H-H2O]+	151.112300	134.1
[M+HCOO]-	213.113241	155.4
[M+CH3COO]-	227.128891	176.7
[M+Na-2H]-	189.089706	141.7
[M]+	168.11449142	135.8
[M]-	168.11558858	135.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.