CID 12406793

4-(1-methylcyclopentyl)phenol

Structural Information

Molecular Formula

C₁₂H₁₆O

SMILES

CC1(CCCC1)C2=CC=C(C=C2)O

InChI

InChI=1S/C12H16O/c1-12(8-2-3-9-12)10-4-6-11(13)7-5-10/h4-7,13H,2-3,8-9H2,1H3

InChIKey

XQDKIMZRWNYNOI-UHFFFAOYSA-N

Compound name

4-(1-methylcyclopentyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 176.12012 Da
Monoisotopic Mass: 4.1
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]+	177.12740	140.1
[M+Na]+	199.10934	152.2
[M+NH4]+	194.15394	151.3
[M+K]+	215.08328	144.9
[M-H]-	175.11284	144.1
[M+Na-2H]-	197.09479	148.9
[M]+	176.11957	143.1
[M]-	176.12067	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe