CID 520536

31729-66-5

Structural Information

Molecular Formula

C₁₀H₁₂O

SMILES

C1CC1(CO)C2=CC=CC=C2

InChI

InChI=1S/C10H12O/c11-8-10(6-7-10)9-4-2-1-3-5-9/h1-5,11H,6-8H2

InChIKey

APALRPYIDIBHQN-UHFFFAOYSA-N

Compound name

(1-phenylcyclopropyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 243
Patents: 148.08882 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]+	149.09610	129.4
[M+Na]+	171.07804	138.7
[M-H]-	147.08154	136.1
[M+NH4]+	166.12264	147.1
[M+K]+	187.05198	136.6
[M+H-H2O]+	131.08608	124.2
[M+HCOO]-	193.08702	152.8
[M+CH3COO]-	207.10267	175.6
[M+Na-2H]-	169.06349	138.3
[M]+	148.08827	130.9
[M]-	148.08937	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe