CID 21183450

2,2,2-trimethoxyethan-1-ol

Structural Information

Molecular Formula

C₅H₁₂O₄

SMILES

COC(CO)(OC)OC

InChI

InChI=1S/C5H12O4/c1-7-5(4-6,8-2)9-3/h6H,4H2,1-3H3

InChIKey

JPXZFDTWGWAOPF-UHFFFAOYSA-N

Compound name

2,2,2-trimethoxyethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 120
Patents: 136.07356 Da
Monoisotopic Mass: -0.8
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]+	137.080836	126.4
[M+Na]+	159.062778	134.0
[M-H]-	135.066284	125.7
[M+NH4]+	154.107383	147.8
[M+K]+	175.036718	135.4
[M+H-H2O]+	119.070820	122.5
[M+HCOO]-	181.071761	148.5
[M+CH3COO]-	195.087411	169.8
[M+Na-2H]-	157.048226	134.3
[M]+	136.07301142	130.8
[M]-	136.07410858	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe