CID 142015

35502-06-8

Structural Information

Molecular Formula

C₅H₁₁ClO₂

SMILES

COC(CCCl)OC

InChI

InChI=1S/C5H11ClO2/c1-7-5(8-2)3-4-6/h5H,3-4H2,1-2H3

InChIKey

DXWRNRRBDAQWDB-UHFFFAOYSA-N

Compound name

3-chloro-1,1-dimethoxypropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 138.04475 Da
Monoisotopic Mass: 1.0
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]+	139.05203	124.1
[M+Na]+	161.03397	135.4
[M+NH4]+	156.07857	132.7
[M+K]+	177.00791	129.9
[M-H]-	137.03747	123.7
[M+Na-2H]-	159.01942	128.6
[M]+	138.04420	125.8
[M]-	138.04530	125.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe