CID 12368041

14902-36-4

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

CC1=CC=CC=C1CCCO

InChI

InChI=1S/C10H14O/c1-9-5-2-3-6-10(9)7-4-8-11/h2-3,5-6,11H,4,7-8H2,1H3

InChIKey

LZVRTEKMCCIWRU-UHFFFAOYSA-N

Compound name

3-(2-methylphenyl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 689
Patents: 150.10446 Da
Monoisotopic Mass: 2.7
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]+	151.11174	131.9
[M+Na]+	173.09368	145.1
[M+NH4]+	168.13828	141.1
[M+K]+	189.06762	137.8
[M-H]-	149.09718	134.4
[M+Na-2H]-	171.07913	139.3
[M]+	150.10391	134.5
[M]-	150.10501	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe