CID 44375474

Chembl162030

Structural Information

Molecular Formula

C₁₀H₁₂O

SMILES

C1CC1CC2=CC=C(C=C2)O

InChI

InChI=1S/C10H12O/c11-10-5-3-9(4-6-10)7-8-1-2-8/h3-6,8,11H,1-2,7H2

InChIKey

KFGUDPHRGURVRF-UHFFFAOYSA-N

Compound name

4-(cyclopropylmethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 15
Patents: 148.08882 Da
Monoisotopic Mass: 3.2
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]+	149.096096	127.5
[M+Na]+	171.078038	137.0
[M-H]-	147.081544	134.1
[M+NH4]+	166.122643	143.6
[M+K]+	187.051978	133.8
[M+H-H2O]+	131.086080	121.5
[M+HCOO]-	193.087021	151.2
[M+CH3COO]-	207.102671	177.0
[M+Na-2H]-	169.063486	134.9
[M]+	148.08827142	128.9
[M]-	148.08936858	128.9

Literature stripe

literature stripe

Patent stripe

patents stripe