CID 71391594

1,2,2-trimethoxypropane

Structural Information

Molecular Formula

C₆H₁₄O₃

SMILES

CC(COC)(OC)OC

InChI

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

InChIKey

GFZJNCZYURGYEX-UHFFFAOYSA-N

Compound name

1,2,2-trimethoxypropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 134.0943 Da
Monoisotopic Mass: 0.1
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	127.0
[M+Na]+	157.08352	136.9
[M+NH4]+	152.12812	134.5
[M+K]+	173.05746	132.8
[M-H]-	133.08702	125.5
[M+Na-2H]-	155.06897	130.8
[M]+	134.09375	127.9
[M]-	134.09485	127.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe