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: 8
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]+	135.101576	127.5
[M+Na]+	157.083518	135.2
[M-H]-	133.087024	128.1
[M+NH4]+	152.128123	149.8
[M+K]+	173.057458	136.8
[M+H-H2O]+	117.091560	123.5
[M+HCOO]-	179.092501	150.5
[M+CH3COO]-	193.108151	173.5
[M+Na-2H]-	155.068966	135.4
[M]+	134.09375142	132.8
[M]-	134.09484858	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe