CID 560054

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

Structural Information

Molecular Formula
C7H13BrO2
SMILES
CC1(OCCO1)CCCBr
InChI
InChI=1S/C7H13BrO2/c1-7(3-2-4-8)9-5-6-10-7/h2-6H2,1H3
InChIKey
VMAKIQSICJHVNP-UHFFFAOYSA-N
Compound name
2-(3-bromopropyl)-2-methyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

208.00989 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.01717 143.1
[M+Na]+ 230.99911 144.3
[M+NH4]+ 226.04371 149.1
[M+K]+ 246.97305 144.9
[M-H]- 207.00261 144.9
[M+Na-2H]- 228.98456 144.8
[M]+ 208.00934 142.7
[M]- 208.01044 142.7
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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