CID 81580

Cyclopropyl(4-methoxyphenyl)methanone

Structural Information

Molecular Formula

C₁₁H₁₂O₂

SMILES

COC1=CC=C(C=C1)C(=O)C2CC2

InChI

InChI=1S/C11H12O2/c1-13-10-6-4-9(5-7-10)11(12)8-2-3-8/h4-8H,2-3H2,1H3

InChIKey

YKZSVEVTRUSPOQ-UHFFFAOYSA-N

Compound name

cyclopropyl-(4-methoxyphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 77
Patents: 176.08372 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]+	177.09100	135.5
[M+Na]+	199.07294	144.8
[M-H]-	175.07644	143.3
[M+NH4]+	194.11754	150.9
[M+K]+	215.04688	142.5
[M+H-H2O]+	159.08098	129.0
[M+HCOO]-	221.08192	159.6
[M+CH3COO]-	235.09757	184.3
[M+Na-2H]-	197.05839	141.3
[M]+	176.08317	139.1
[M]-	176.08427	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe