CID 81561

7143-76-2

Structural Information

Molecular Formula

C₁₁H₁₂O

SMILES

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

InChI

InChI=1S/C11H12O/c1-8-2-4-9(5-3-8)11(12)10-6-7-10/h2-5,10H,6-7H2,1H3

InChIKey

TUZLFHYUOUBZOK-UHFFFAOYSA-N

Compound name

cyclopropyl-(4-methylphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 149
Patents: 160.08882 Da
Monoisotopic Mass: 2.6
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]+	161.096096	131.4
[M+Na]+	183.078038	140.8
[M-H]-	159.081544	139.2
[M+NH4]+	178.122643	147.5
[M+K]+	199.051978	138.2
[M+H-H2O]+	143.086080	125.0
[M+HCOO]-	205.087021	155.3
[M+CH3COO]-	219.102671	182.4
[M+Na-2H]-	181.063486	137.4
[M]+	160.08827142	133.6
[M]-	160.08936858	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe