CID 3759783

119138-29-3

Structural Information

Molecular Formula

C₈H₁₀O₃

SMILES

COC1=C(C=CC(=C1)O)CO

InChI

InChI=1S/C8H10O3/c1-11-8-4-7(10)3-2-6(8)5-9/h2-4,9-10H,5H2,1H3

InChIKey

IMPDSJJLYGGTPW-UHFFFAOYSA-N

Compound name

4-(hydroxymethyl)-3-methoxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 472
Patents: 154.06299 Da
Monoisotopic Mass: 0.7
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]+	155.070266	128.9
[M+Na]+	177.052208	137.7
[M-H]-	153.055714	130.6
[M+NH4]+	172.096813	149.1
[M+K]+	193.026148	135.8
[M+H-H2O]+	137.060250	124.0
[M+HCOO]-	199.061191	151.5
[M+CH3COO]-	213.076841	171.4
[M+Na-2H]-	175.037656	135.3
[M]+	154.06244142	129.8
[M]-	154.06353858	129.8

Literature stripe

literature stripe

Patent stripe

patents stripe