CID 22325461

318488-78-7

Structural Information

Molecular Formula
C6H9BrO2
SMILES
CCC1CC(C(=O)O1)Br
InChI
InChI=1S/C6H9BrO2/c1-2-4-3-5(7)6(8)9-4/h4-5H,2-3H2,1H3
InChIKey
LGWUAVWPMYBCTB-UHFFFAOYSA-N
Compound name
3-bromo-5-ethyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

191.97859 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.985866 134.2
[M+Na]+ 214.967808 146.3
[M-H]- 190.971314 141.2
[M+NH4]+ 210.012413 158.1
[M+K]+ 230.941748 137.7
[M+H-H2O]+ 174.975850 135.5
[M+HCOO]- 236.976791 154.8
[M+CH3COO]- 250.992441 179.3
[M+Na-2H]- 212.953256 140.4
[M]+ 191.97804142 152.8
[M]- 191.97913858 152.8
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

patents stripe