CID 552082

2-(5-bromopentyl)-1,3-dioxolane

Structural Information

Molecular Formula
C8H15BrO2
SMILES
C1COC(O1)CCCCCBr
InChI
InChI=1S/C8H15BrO2/c9-5-3-1-2-4-8-10-6-7-11-8/h8H,1-7H2
InChIKey
DYVNUZNBIHDABX-UHFFFAOYSA-N
Compound name
2-(5-bromopentyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

222.02554 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.032816 147.5
[M+Na]+ 245.014758 156.7
[M-H]- 221.018264 153.9
[M+NH4]+ 240.059363 168.4
[M+K]+ 260.988698 149.1
[M+H-H2O]+ 205.022800 148.0
[M+HCOO]- 267.023741 166.3
[M+CH3COO]- 281.039391 183.8
[M+Na-2H]- 243.000206 154.4
[M]+ 222.02499142 167.2
[M]- 222.02608858 167.2
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

patents stripe