CID 18516144

16728-03-3

Structural Information

Molecular Formula

C₁₁H₁₄O₂

SMILES

COC1=CC=C(C=C1)C2(CC2)CO

InChI

InChI=1S/C11H14O2/c1-13-10-4-2-9(3-5-10)11(8-12)6-7-11/h2-5,12H,6-8H2,1H3

InChIKey

DRIOCJAMPBWZQM-UHFFFAOYSA-N

Compound name

[1-(4-methoxyphenyl)cyclopropyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 178.09938 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]+	179.10666	136.9
[M+Na]+	201.08860	146.6
[M-H]-	177.09210	143.7
[M+NH4]+	196.13320	153.7
[M+K]+	217.06254	144.5
[M+H-H2O]+	161.09664	131.6
[M+HCOO]-	223.09758	160.0
[M+CH3COO]-	237.11323	181.4
[M+Na-2H]-	199.07405	144.6
[M]+	178.09883	140.6
[M]-	178.09993	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe