CID 96398

38675-78-4

Structural Information

Molecular Formula

C₁₂H₁₄O

SMILES

CC1=C(C=C(C=C1)C(=O)C2CC2)C

InChI

InChI=1S/C12H14O/c1-8-3-4-11(7-9(8)2)12(13)10-5-6-10/h3-4,7,10H,5-6H2,1-2H3

InChIKey

RVHOLOURUAQTTL-UHFFFAOYSA-N

Compound name

cyclopropyl-(3,4-dimethylphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 174.10446 Da
Monoisotopic Mass: 2.8
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]+	175.111736	134.9
[M+Na]+	197.093678	144.8
[M-H]-	173.097184	143.0
[M+NH4]+	192.138283	150.8
[M+K]+	213.067618	141.8
[M+H-H2O]+	157.101720	128.7
[M+HCOO]-	219.102661	158.5
[M+CH3COO]-	233.118311	186.4
[M+Na-2H]-	195.079126	139.8
[M]+	174.10391142	137.9
[M]-	174.10500858	137.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.