CID 318157

Nsc252858

Structural Information

Molecular Formula
C6H9BrO2
SMILES
CC1CC(C(=O)O1)(C)Br
InChI
InChI=1S/C6H9BrO2/c1-4-3-6(2,7)5(8)9-4/h4H,3H2,1-2H3
InChIKey
UIGUFPIRJDSCNF-UHFFFAOYSA-N
Compound name
3-bromo-3,5-dimethyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.97859 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.985866 130.7
[M+Na]+ 214.967808 143.6
[M-H]- 190.971314 138.2
[M+NH4]+ 210.012413 156.6
[M+K]+ 230.941748 135.3
[M+H-H2O]+ 174.975850 133.2
[M+HCOO]- 236.976791 151.4
[M+CH3COO]- 250.992441 178.9
[M+Na-2H]- 212.953256 138.4
[M]+ 191.97804142 149.9
[M]- 191.97913858 149.9
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.