CID 95873

Cymopyrocatechol

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CC1=C(C(=C(C=C1)C(C)C)O)O

InChI

InChI=1S/C10H14O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h4-6,11-12H,1-3H3

InChIKey

LYUBXLHGANLIMX-UHFFFAOYSA-N

Compound name

3-methyl-6-propan-2-ylbenzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 133
Patents: 166.09938 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]+	167.10666	134.5
[M+Na]+	189.08860	143.2
[M-H]-	165.09210	136.3
[M+NH4]+	184.13320	154.6
[M+K]+	205.06254	140.9
[M+H-H2O]+	149.09664	129.9
[M+HCOO]-	211.09758	155.2
[M+CH3COO]-	225.11323	177.5
[M+Na-2H]-	187.07405	137.9
[M]+	166.09883	134.4
[M]-	166.09993	134.4

Literature stripe

literature stripe

Patent stripe

patents stripe