CID 86707

Iso-pinocamphone

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CC1C2CC(C1=O)CC2(C)C

InChI

InChI=1S/C10H16O/c1-6-8-4-7(9(6)11)5-10(8,2)3/h6-8H,4-5H2,1-3H3

InChIKey

ZYDUOFAYEXDGIS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 152.12012 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]+	153.127396	133.7
[M+Na]+	175.109338	143.2
[M-H]-	151.112844	137.3
[M+NH4]+	170.153943	162.7
[M+K]+	191.083278	140.9
[M+H-H2O]+	135.117380	131.0
[M+HCOO]-	197.118321	155.0
[M+CH3COO]-	211.133971	178.7
[M+Na-2H]-	173.094786	137.0
[M]+	152.11957142	133.9
[M]-	152.12066858	133.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.