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

350
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

literature stripe

Patent stripe

patents stripe