CID 3391102

4-(hydroxymethyl)benzaldehyde dimethyl acetal

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

COC(C1=CC=C(C=C1)CO)OC

InChI

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

InChIKey

QUWDMLYTJRQRRO-UHFFFAOYSA-N

Compound name

[4-(dimethoxymethyl)phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 182.0943 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]+	183.10158	138.4
[M+Na]+	205.08352	145.6
[M-H]-	181.08702	140.9
[M+NH4]+	200.12812	157.9
[M+K]+	221.05746	144.6
[M+H-H2O]+	165.09156	132.8
[M+HCOO]-	227.09250	160.9
[M+CH3COO]-	241.10815	179.7
[M+Na-2H]-	203.06897	143.7
[M]+	182.09375	140.9
[M]-	182.09485	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe