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

2
Patents

192.01498 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.022256 138.8
[M+Na]+ 215.004198 149.4
[M-H]- 191.007704 145.3
[M+NH4]+ 210.048803 162.5
[M+K]+ 230.978138 140.8
[M+H-H2O]+ 175.012240 139.8
[M+HCOO]- 237.013181 158.7
[M+CH3COO]- 251.028831 180.0
[M+Na-2H]- 212.989646 144.9
[M]+ 192.01443142 156.7
[M]- 192.01552858 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

patents stripe