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

86
Patents

212.97893 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.986206 137.6
[M+Na]+ 235.968148 152.5
[M-H]- 211.971654 146.9
[M+NH4]+ 231.012753 154.6
[M+K]+ 251.942088 140.9
[M+H-H2O]+ 195.976190 136.9
[M+HCOO]- 257.977131 159.7
[M+CH3COO]- 271.992781 186.6
[M+Na-2H]- 233.953596 146.1
[M]+ 212.97838142 157.9
[M]- 212.97947858 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