CID 59635647

4-bromo-1-cyclopropylpyridin-2(1h)-one

Structural Information

Molecular Formula
C8H8BrNO
SMILES
C1CC1N2C=CC(=CC2=O)Br
InChI
InChI=1S/C8H8BrNO/c9-6-3-4-10(7-1-2-7)8(11)5-6/h3-5,7H,1-2H2
InChIKey
UHJGCHDQKZZFTN-UHFFFAOYSA-N
Compound name
4-bromo-1-cyclopropylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

212.97893 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.98621 137.6
[M+Na]+ 235.96815 152.5
[M-H]- 211.97165 146.9
[M+NH4]+ 231.01275 154.6
[M+K]+ 251.94209 140.9
[M+H-H2O]+ 195.97619 136.9
[M+HCOO]- 257.97713 159.7
[M+CH3COO]- 271.99278 186.6
[M+Na-2H]- 233.95360 146.1
[M]+ 212.97838 157.9
[M]- 212.97948 157.9
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