CID 76245

2937-60-2

Structural Information

Molecular Formula

C₈H₁₀O₃

SMILES

C1=CC(=C(C=C1CO)CO)O

InChI

InChI=1S/C8H10O3/c9-4-6-1-2-8(11)7(3-6)5-10/h1-3,9-11H,4-5H2

InChIKey

HOPGWDUYWPMYFB-UHFFFAOYSA-N

Compound name

2,4-bis(hydroxymethyl)phenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 574
Patents: 154.06299 Da
Monoisotopic Mass: -0.3
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]+	155.070266	129.7
[M+Na]+	177.052208	138.0
[M-H]-	153.055714	130.0
[M+NH4]+	172.096813	149.2
[M+K]+	193.026148	135.3
[M+H-H2O]+	137.060250	125.1
[M+HCOO]-	199.061191	150.8
[M+CH3COO]-	213.076841	168.9
[M+Na-2H]-	175.037656	135.6
[M]+	154.06244142	128.7
[M]-	154.06353858	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe