CID 176472537

Tp1/octahydro-7-methyl-1,4-methanonaphthalen-6(2h)-one

Structural Information

Molecular Formula

C₁₂H₁₈O₃

SMILES

CC1CC2(C3CCC(C3)C2CC(=O)O1)O

InChI

InChI=1S/C12H18O3/c1-7-6-12(14)9-3-2-8(4-9)10(12)5-11(13)15-7/h7-10,14H,2-6H2,1H3

InChIKey

JPZHFIOBRQHPRG-UHFFFAOYSA-N

Compound name

8-hydroxy-6-methyl-5-oxatricyclo[7.2.1.02,8]dodecan-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 210.1256 Da
Monoisotopic Mass: 1.4
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]+	211.132876	145.7
[M+Na]+	233.114818	151.8
[M-H]-	209.118324	150.0
[M+NH4]+	228.159423	169.3
[M+K]+	249.088758	150.9
[M+H-H2O]+	193.122860	143.4
[M+HCOO]-	255.123801	160.6
[M+CH3COO]-	269.139451	157.6
[M+Na-2H]-	231.100266	148.7
[M]+	210.12505142	141.1
[M]-	210.12614858	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.