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]+ 216.001856 133.7
[M+Na]+ 237.983798 148.1
[M-H]- 213.987304 138.7
[M+NH4]+ 233.028403 155.1
[M+K]+ 253.957738 136.3
[M+H-H2O]+ 197.991840 134.3
[M+HCOO]- 259.992781 153.8
[M+CH3COO]- 274.008431 184.6
[M+Na-2H]- 235.969246 140.5
[M]+ 214.99403142 152.8
[M]- 214.99512858 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.