CID 199573

P-cymene-9,10-diol

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CC1=CC=C(C=C1)C(CO)CO

InChI

InChI=1S/C10H14O2/c1-8-2-4-9(5-3-8)10(6-11)7-12/h2-5,10-12H,6-7H2,1H3

InChIKey

VFUWTUIVNISCGA-UHFFFAOYSA-N

Compound name

2-(4-methylphenyl)propane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 882
Patents: 166.09938 Da
Monoisotopic Mass: 1.0
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]+	167.10666	136.1
[M+Na]+	189.08860	142.8
[M-H]-	165.09210	137.1
[M+NH4]+	184.13320	155.5
[M+K]+	205.06254	140.4
[M+H-H2O]+	149.09664	130.9
[M+HCOO]-	211.09758	156.8
[M+CH3COO]-	225.11323	175.1
[M+Na-2H]-	187.07405	140.8
[M]+	166.09883	135.2
[M]-	166.09993	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe