CID 10489151

2-(5-bromopentyl)oxolane

Structural Information

Molecular Formula
C9H17BrO
SMILES
C1CC(OC1)CCCCCBr
InChI
InChI=1S/C9H17BrO/c10-7-3-1-2-5-9-6-4-8-11-9/h9H,1-8H2
InChIKey
SQQSDJQBRWFOME-UHFFFAOYSA-N
Compound name
2-(5-bromopentyl)oxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.04628 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.053556 148.9
[M+Na]+ 243.035498 157.7
[M-H]- 219.039004 154.6
[M+NH4]+ 238.080103 171.2
[M+K]+ 259.009438 148.7
[M+H-H2O]+ 203.043540 149.2
[M+HCOO]- 265.044481 168.1
[M+CH3COO]- 279.060131 184.7
[M+Na-2H]- 241.020946 154.4
[M]+ 220.04573142 167.0
[M]- 220.04682858 167.0
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

No patent data available for this compound.