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

348
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 131.6
[M+Na]+ 187.04963 142.8
[M+NH4]+ 182.09423 142.0
[M+K]+ 203.02357 137.0
[M-H]- 163.05313 135.3
[M+Na-2H]- 185.03508 137.0
[M]+ 164.05986 134.6
[M]- 164.06096 134.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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Patent stripe

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