CID 82840525

2-(2-bromoethyl)-5-methyloxolane

Structural Information

Molecular Formula
C7H13BrO
SMILES
CC1CCC(O1)CCBr
InChI
InChI=1S/C7H13BrO/c1-6-2-3-7(9-6)4-5-8/h6-7H,2-5H2,1H3
InChIKey
OBCIXCPTEKXRTJ-UHFFFAOYSA-N
Compound name
2-(2-bromoethyl)-5-methyloxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.01498 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.02226 139.3
[M+Na]+ 215.00420 140.8
[M+NH4]+ 210.04880 144.7
[M+K]+ 230.97814 142.2
[M-H]- 191.00770 140.5
[M+Na-2H]- 212.98965 140.2
[M]+ 192.01443 138.5
[M]- 192.01553 138.5
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

No patent data available for this compound.