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

78
Patents

226.99458 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.001856 141.9
[M+Na]+ 249.983798 156.3
[M-H]- 225.987304 151.0
[M+NH4]+ 245.028403 158.3
[M+K]+ 265.957738 144.6
[M+H-H2O]+ 209.991840 141.0
[M+HCOO]- 271.992781 163.7
[M+CH3COO]- 286.008431 189.3
[M+Na-2H]- 247.969246 149.8
[M]+ 226.99403142 162.5
[M]- 226.99512858 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