CID 98229

Alpha-bromo-gamma-valerolactone

Structural Information

Molecular Formula
C5H7BrO2
SMILES
CC1CC(C(=O)O1)Br
InChI
InChI=1S/C5H7BrO2/c1-3-2-4(6)5(7)8-3/h3-4H,2H2,1H3
InChIKey
FLOKBGAYTGLYGR-UHFFFAOYSA-N
Compound name
3-bromo-5-methyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

177.96294 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.97022 131.8
[M+Na]+ 200.95216 133.7
[M+NH4]+ 195.99676 136.8
[M+K]+ 216.92610 136.2
[M-H]- 176.95566 132.5
[M+Na-2H]- 198.93761 132.7
[M]+ 177.96239 130.9
[M]- 177.96349 130.9
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

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