CID 14203602

4-bromo-3,5,6-trimethyl-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula
C8H10BrNO
SMILES
CC1=C(NC(=O)C(=C1Br)C)C
InChI
InChI=1S/C8H10BrNO/c1-4-6(3)10-8(11)5(2)7(4)9/h1-3H3,(H,10,11)
InChIKey
MZDPSNKXXYRDQJ-UHFFFAOYSA-N
Compound name
4-bromo-3,5,6-trimethyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.99458 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.00186 133.7
[M+Na]+ 237.98380 148.1
[M-H]- 213.98730 138.7
[M+NH4]+ 233.02840 155.1
[M+K]+ 253.95774 136.3
[M+H-H2O]+ 197.99184 134.3
[M+HCOO]- 259.99278 153.8
[M+CH3COO]- 274.00843 184.6
[M+Na-2H]- 235.96925 140.5
[M]+ 214.99403 152.8
[M]- 214.99513 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

No patent data available for this compound.