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

109
Patents

208.00989 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.017166 139.7
[M+Na]+ 230.999108 150.1
[M-H]- 207.002614 146.7
[M+NH4]+ 226.043713 163.1
[M+K]+ 246.973048 143.1
[M+H-H2O]+ 191.007150 141.5
[M+HCOO]- 253.008091 158.9
[M+CH3COO]- 267.023741 180.5
[M+Na-2H]- 228.984556 148.5
[M]+ 208.00934142 159.6
[M]- 208.01043858 159.6
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