CID 5152854

2-chloro-1,1-dimethoxypropane

Structural Information

Molecular Formula
C5H11ClO2
SMILES
CC(C(OC)OC)Cl
InChI
InChI=1S/C5H11ClO2/c1-4(6)5(7-2)8-3/h4-5H,1-3H3
InChIKey
USYKAPHTJDDRLV-UHFFFAOYSA-N
Compound name
2-chloro-1,1-dimethoxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

138.04475 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.05203 124.5
[M+Na]+ 161.03397 135.4
[M+NH4]+ 156.07857 132.9
[M+K]+ 177.00791 130.7
[M-H]- 137.03747 123.8
[M+Na-2H]- 159.01942 128.5
[M]+ 138.04420 126.0
[M]- 138.04530 126.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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