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 138.8
[M+Na]+ 215.00420 149.4
[M-H]- 191.00770 145.3
[M+NH4]+ 210.04880 162.5
[M+K]+ 230.97814 140.8
[M+H-H2O]+ 175.01224 139.8
[M+HCOO]- 237.01318 158.7
[M+CH3COO]- 251.02883 180.0
[M+Na-2H]- 212.98965 144.9
[M]+ 192.01443 156.7
[M]- 192.01553 156.7
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.