CID 135600425

1-cyclopentyl-4-methyl-1h,6h,7h-pyrazolo[3,4-b]pyridin-6-one

Structural Information

Molecular Formula
C12H15N3O
SMILES
CC1=CC(=O)NC2=C1C=NN2C3CCCC3
InChI
InChI=1S/C12H15N3O/c1-8-6-11(16)14-12-10(8)7-13-15(12)9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,14,16)
InChIKey
OWTCGDKEYSLZEF-UHFFFAOYSA-N
Compound name
1-cyclopentyl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.1215 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.128776 147.6
[M+Na]+ 240.110718 157.9
[M-H]- 216.114224 151.0
[M+NH4]+ 235.155323 166.4
[M+K]+ 256.084658 153.2
[M+H-H2O]+ 200.118760 139.8
[M+HCOO]- 262.119701 167.6
[M+CH3COO]- 276.135351 160.3
[M+Na-2H]- 238.096166 150.3
[M]+ 217.12095142 146.7
[M]- 217.12204858 146.7
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

No patent data available for this compound.