CID 10655013

Verimol j

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

CC(CC1=C(C=C(C=C1)OC)O)O

InChI

InChI=1S/C10H14O3/c1-7(11)5-8-3-4-9(13-2)6-10(8)12/h3-4,6-7,11-12H,5H2,1-2H3

InChIKey

JHAZVELQNMEUTR-UHFFFAOYSA-N

Compound name

2-(2-hydroxypropyl)-5-methoxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.0943 Da
Monoisotopic Mass: 1.7
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]+	183.10158	138.5
[M+Na]+	205.08352	146.1
[M-H]-	181.08702	139.8
[M+NH4]+	200.12812	157.5
[M+K]+	221.05746	144.3
[M+H-H2O]+	165.09156	133.3
[M+HCOO]-	227.09250	159.4
[M+CH3COO]-	241.10815	178.4
[M+Na-2H]-	203.06897	142.5
[M]+	182.09375	139.5
[M]-	182.09485	139.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.