CID 80079

2-(3-chloropropyl)-2-methyl-1,3-dioxolane

Structural Information

Molecular Formula
C7H13ClO2
SMILES
CC1(OCCO1)CCCCl
InChI
InChI=1S/C7H13ClO2/c1-7(3-2-4-8)9-5-6-10-7/h2-6H2,1H3
InChIKey
OFERIRWCHSOJJT-UHFFFAOYSA-N
Compound name
2-(3-chloropropyl)-2-methyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

386
Patents

164.06041 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.06769 132.7
[M+Na]+ 187.04963 140.3
[M-H]- 163.05313 137.0
[M+NH4]+ 182.09423 155.2
[M+K]+ 203.02357 140.4
[M+H-H2O]+ 147.05767 129.4
[M+HCOO]- 209.05861 149.5
[M+CH3COO]- 223.07426 173.7
[M+Na-2H]- 185.03508 140.3
[M]+ 164.05986 135.7
[M]- 164.06096 135.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.