CID 12757502

Norbornylmethylketon

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

CC(=O)C12CCC(C1)CC2

InChI

InChI=1S/C9H14O/c1-7(10)9-4-2-8(6-9)3-5-9/h8H,2-6H2,1H3

InChIKey

KHFLDFPQRASTFG-UHFFFAOYSA-N

Compound name

1-(1-bicyclo[2.2.1]heptanyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 138.10446 Da
Monoisotopic Mass: 1.7
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]+	139.11174	132.1
[M+Na]+	161.09368	140.4
[M+NH4]+	156.13828	143.4
[M+K]+	177.06762	136.3
[M-H]-	137.09718	132.4
[M+Na-2H]-	159.07913	135.2
[M]+	138.10391	133.2
[M]-	138.10501	133.2

Literature stripe

literature stripe

Patent stripe

patents stripe