CID 79464

Cyclopentyl phenyl ketone

Structural Information

Molecular Formula

C₁₂H₁₄O

SMILES

C1CCC(C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H14O/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2

InChIKey

VYDIMQRLNMMJBW-UHFFFAOYSA-N

Compound name

cyclopentyl(phenyl)methanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 524
Patents: 174.10446 Da
Monoisotopic Mass: 3.1
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]+	175.11174	138.9
[M+Na]+	197.09368	144.2
[M-H]-	173.09718	145.0
[M+NH4]+	192.13828	160.3
[M+K]+	213.06762	141.8
[M+H-H2O]+	157.10172	132.5
[M+HCOO]-	219.10266	161.3
[M+CH3COO]-	233.11831	178.7
[M+Na-2H]-	195.07913	142.2
[M]+	174.10391	135.2
[M]-	174.10501	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe