CID 15050

Trimethyl orthoacetate

Structural Information

Molecular Formula

C₅H₁₂O₃

SMILES

CC(OC)(OC)OC

InChI

InChI=1S/C5H12O3/c1-5(6-2,7-3)8-4/h1-4H3

InChIKey

HDPNBNXLBDFELL-UHFFFAOYSA-N

Compound name

1,1,1-trimethoxyethane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 9
References: 10976
Patents: 120.07864 Da
Monoisotopic Mass: 0.2
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]+	121.085916	122.7
[M+Na]+	143.067858	130.9
[M-H]-	119.071364	123.6
[M+NH4]+	138.112463	145.6
[M+K]+	159.041798	132.8
[M+H-H2O]+	103.075900	119.0
[M+HCOO]-	165.076841	146.1
[M+CH3COO]-	179.092491	170.5
[M+Na-2H]-	141.053306	131.2
[M]+	120.07809142	127.7
[M]-	120.07918858	127.7

Literature stripe

literature stripe

Patent stripe

patents stripe