CID 538047

3-acetylnoradamantane

Structural Information

Molecular Formula

C₁₁H₁₆O

SMILES

CC(=O)C12CC3CC(C1)CC2C3

InChI

InChI=1S/C11H16O/c1-7(12)11-5-8-2-9(6-11)4-10(11)3-8/h8-10H,2-6H2,1H3

InChIKey

VMCFOTARMDNPPQ-UHFFFAOYSA-N

Compound name

1-(3-tricyclo[3.3.1.03,7]nonanyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 164.12012 Da
Monoisotopic Mass: 2.2
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]+	165.127396	139.8
[M+Na]+	187.109338	144.8
[M-H]-	163.112844	137.8
[M+NH4]+	182.153943	170.7
[M+K]+	203.083278	141.7
[M+H-H2O]+	147.117380	136.3
[M+HCOO]-	209.118321	152.0
[M+CH3COO]-	223.133971	151.3
[M+Na-2H]-	185.094786	146.4
[M]+	164.11957142	141.6
[M]-	164.12066858	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe