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

48
Patents

222.02554 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.03282 147.5
[M+Na]+ 245.01476 156.7
[M-H]- 221.01826 153.9
[M+NH4]+ 240.05936 168.4
[M+K]+ 260.98870 149.1
[M+H-H2O]+ 205.02280 148.0
[M+HCOO]- 267.02374 166.3
[M+CH3COO]- 281.03939 183.8
[M+Na-2H]- 243.00021 154.4
[M]+ 222.02499 167.2
[M]- 222.02609 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