CID 13024025

3-bromo-1-methylpyridin-2(1h)-one

Structural Information

Molecular Formula
C6H6BrNO
SMILES
CN1C=CC=C(C1=O)Br
InChI
InChI=1S/C6H6BrNO/c1-8-4-2-3-5(7)6(8)9/h2-4H,1H3
InChIKey
HKLQWLOMEUJSOR-UHFFFAOYSA-N
Compound name
3-bromo-1-methylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

328
Patents

186.96329 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.97057 127.4
[M+Na]+ 209.95251 132.3
[M+NH4]+ 204.99711 132.6
[M+K]+ 225.92645 132.2
[M-H]- 185.95601 127.9
[M+Na-2H]- 207.93796 132.1
[M]+ 186.96274 127.1
[M]- 186.96384 127.1
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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