CID 137935940

2-(2-bromoethyl)-3-methyloxolane

Structural Information

Molecular Formula
C7H13BrO
SMILES
CC1CCOC1CCBr
InChI
InChI=1S/C7H13BrO/c1-6-3-5-9-7(6)2-4-8/h6-7H,2-5H2,1H3
InChIKey
KVHDAGJELLTHNF-UHFFFAOYSA-N
Compound name
2-(2-bromoethyl)-3-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]+ 193.022256 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.