CID 24509

1,2-dimethoxypropane

Structural Information

Molecular Formula

C₅H₁₂O₂

SMILES

CC(COC)OC

InChI

InChI=1S/C5H12O2/c1-5(7-3)4-6-2/h5H,4H2,1-3H3

InChIKey

LEEANUDEDHYDTG-UHFFFAOYSA-N

Compound name

1,2-dimethoxypropane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 31049
Patents: 104.08373 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]+	105.091006	120.4
[M+Na]+	127.072948	127.8
[M-H]-	103.076454	121.0
[M+NH4]+	122.117553	143.7
[M+K]+	143.046888	129.4
[M+H-H2O]+	87.080990	116.2
[M+HCOO]-	149.081931	144.0
[M+CH3COO]-	163.097581	169.0
[M+Na-2H]-	125.058396	126.8
[M]+	104.08318142	123.6
[M]-	104.08427858	123.6

Literature stripe

literature stripe

Patent stripe

patents stripe