CID 1488706

30625-68-4

Structural Information

Molecular Formula

C₁₂H₁₄O₂

SMILES

CC(=O)[C@H]1C[C@@H]1C2=CC=C(C=C2)OC

InChI

InChI=1S/C12H14O2/c1-8(13)11-7-12(11)9-3-5-10(14-2)6-4-9/h3-6,11-12H,7H2,1-2H3/t11-,12-/m1/s1

InChIKey

CIFHCHHNJJMKPJ-VXGBXAGGSA-N

Compound name

1-[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 190.09938 Da
Monoisotopic Mass: 1.8
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]+	191.106656	139.0
[M+Na]+	213.088598	148.9
[M-H]-	189.092104	147.1
[M+NH4]+	208.133203	154.2
[M+K]+	229.062538	146.2
[M+H-H2O]+	173.096640	132.6
[M+HCOO]-	235.097581	162.8
[M+CH3COO]-	249.113231	188.3
[M+Na-2H]-	211.074046	143.8
[M]+	190.09883142	143.5
[M]-	190.09992858	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.