CID 59635701

5-bromo-1-(cyclopropylmethyl)-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula
C9H10BrNO
SMILES
C1CC1CN2C=C(C=CC2=O)Br
InChI
InChI=1S/C9H10BrNO/c10-8-3-4-9(12)11(6-8)5-7-1-2-7/h3-4,6-7H,1-2,5H2
InChIKey
LYJAMRBVRNCRMA-UHFFFAOYSA-N
Compound name
5-bromo-1-(cyclopropylmethyl)pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

226.99458 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.00186 141.9
[M+Na]+ 249.98380 156.3
[M-H]- 225.98730 151.0
[M+NH4]+ 245.02840 158.3
[M+K]+ 265.95774 144.6
[M+H-H2O]+ 209.99184 141.0
[M+HCOO]- 271.99278 163.7
[M+CH3COO]- 286.00843 189.3
[M+Na-2H]- 247.96925 149.8
[M]+ 226.99403 162.5
[M]- 226.99513 162.5
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