CID 146591459

2410055-24-0

Structural Information

Molecular Formula
C7H8BrN3O
SMILES
CN1C(=C2C(=N1)CCNC2=O)Br
InChI
InChI=1S/C7H8BrN3O/c1-11-6(8)5-4(10-11)2-3-9-7(5)12/h2-3H2,1H3,(H,9,12)
InChIKey
YINIVDFOZFWMHZ-UHFFFAOYSA-N
Compound name
3-bromo-2-methyl-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

228.98508 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.992356 141.0
[M+Na]+ 251.974298 154.3
[M-H]- 227.977804 143.5
[M+NH4]+ 247.018903 161.4
[M+K]+ 267.948238 142.9
[M+H-H2O]+ 211.982340 140.6
[M+HCOO]- 273.983281 157.0
[M+CH3COO]- 287.998931 155.3
[M+Na-2H]- 249.959746 147.1
[M]+ 228.98453142 157.3
[M]- 228.98562858 157.3
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