CID 141145

Trimethyl orthopropionate

Structural Information

Molecular Formula

C₆H₁₄O₃

SMILES

CCC(OC)(OC)OC

InChI

InChI=1S/C6H14O3/c1-5-6(7-2,8-3)9-4/h5H2,1-4H3

InChIKey

ZGMNAIODRDOMEK-UHFFFAOYSA-N

Compound name

1,1,1-trimethoxypropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1893
Patents: 134.0943 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]+	135.10158	127.5
[M+Na]+	157.08352	135.2
[M-H]-	133.08702	128.1
[M+NH4]+	152.12812	149.8
[M+K]+	173.05746	136.8
[M+H-H2O]+	117.09156	123.5
[M+HCOO]-	179.09250	150.5
[M+CH3COO]-	193.10815	173.5
[M+Na-2H]-	155.06897	135.4
[M]+	134.09375	132.8
[M]-	134.09485	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe