CID 325

Cuminol

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

CC(C)C1=CC=C(C=C1)CO

InChI

InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3

InChIKey

OIGWAXDAPKFNCQ-UHFFFAOYSA-N

Compound name

(4-propan-2-ylphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 16
References: 7597
Patents: 150.10446 Da
Monoisotopic Mass: 2.3
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]+	151.111736	131.9
[M+Na]+	173.093678	139.2
[M-H]-	149.097184	134.4
[M+NH4]+	168.138283	152.8
[M+K]+	189.067618	137.2
[M+H-H2O]+	133.101720	126.9
[M+HCOO]-	195.102661	154.0
[M+CH3COO]-	209.118311	175.7
[M+Na-2H]-	171.079126	137.3
[M]+	150.10391142	131.6
[M]-	150.10500858	131.6

Literature stripe

literature stripe

Patent stripe

patents stripe