CID 12012686

Trimethyl 4-hydroxyorthobenzoate

Structural Information

Molecular Formula

C₁₀H₁₄O₄

SMILES

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

InChI

InChI=1S/C10H14O4/c1-12-10(13-2,14-3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3

InChIKey

WHGXSKFFMXAIHA-UHFFFAOYSA-N

Compound name

4-(trimethoxymethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 198.0892 Da
Monoisotopic Mass: 1.9
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]+	199.09648	141.2
[M+Na]+	221.07842	148.9
[M-H]-	197.08192	143.8
[M+NH4]+	216.12302	160.1
[M+K]+	237.05236	148.5
[M+H-H2O]+	181.08646	135.8
[M+HCOO]-	243.08740	163.3
[M+CH3COO]-	257.10305	181.3
[M+Na-2H]-	219.06387	148.5
[M]+	198.08865	145.3
[M]-	198.08975	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe