CID 537288

117132-08-8

Structural Information

Molecular Formula

C₁₁H₁₆O₄

SMILES

COC1(C2CCCC1C(=O)CC2=O)OC

InChI

InChI=1S/C11H16O4/c1-14-11(15-2)7-4-3-5-8(11)10(13)6-9(7)12/h7-8H,3-6H2,1-2H3

InChIKey

CFBRRDQMCNWXLH-UHFFFAOYSA-N

Compound name

9,9-dimethoxybicyclo[3.3.1]nonane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 212.10486 Da
Monoisotopic Mass: 0.4
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]+	213.112136	143.2
[M+Na]+	235.094078	150.4
[M-H]-	211.097584	145.8
[M+NH4]+	230.138683	165.8
[M+K]+	251.068018	149.4
[M+H-H2O]+	195.102120	138.5
[M+HCOO]-	257.103061	160.6
[M+CH3COO]-	271.118711	187.5
[M+Na-2H]-	233.079526	149.1
[M]+	212.10431142	143.3
[M]-	212.10540858	143.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.