CID 12712314

1-chloro-2,2-dimethoxypropane

Structural Information

Molecular Formula

C₅H₁₁ClO₂

SMILES

CC(CCl)(OC)OC

InChI

InChI=1S/C5H11ClO2/c1-5(4-6,7-2)8-3/h4H2,1-3H3

InChIKey

FTKKWGMMSYGKON-UHFFFAOYSA-N

Compound name

1-chloro-2,2-dimethoxypropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 138.04475 Da
Monoisotopic Mass: 0.9
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	124.8
[M+Na]+	161.03397	136.2
[M+NH4]+	156.07857	133.3
[M+K]+	177.00791	131.0
[M-H]-	137.03747	123.9
[M+Na-2H]-	159.01942	129.5
[M]+	138.04420	126.4
[M]-	138.04530	126.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe