CID 12653961

34680-57-4

Structural Information

Molecular Formula

C₅H₁₁ClO₂

SMILES

COCC(COC)Cl

InChI

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

InChIKey

GOLTWNACDIUROT-UHFFFAOYSA-N

Compound name

2-chloro-1,3-dimethoxypropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 138.04475 Da
Monoisotopic Mass: 0.6
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	125.3
[M+Na]+	161.03397	133.6
[M-H]-	137.03747	125.8
[M+NH4]+	156.07857	148.1
[M+K]+	177.00791	132.8
[M+H-H2O]+	121.04201	122.0
[M+HCOO]-	183.04295	144.5
[M+CH3COO]-	197.05860	172.9
[M+Na-2H]-	159.01942	131.4
[M]+	138.04420	130.3
[M]-	138.04530	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe