CID 135600423

929975-53-1

Structural Information

Molecular Formula
C11H15N3O
SMILES
CC1=CC(=O)NC2=C1C=NN2CC(C)C
InChI
InChI=1S/C11H15N3O/c1-7(2)6-14-11-9(5-12-14)8(3)4-10(15)13-11/h4-5,7H,6H2,1-3H3,(H,13,15)
InChIKey
KOYQVHXLLWYDOE-UHFFFAOYSA-N
Compound name
4-methyl-1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.1215 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.128776 145.3
[M+Na]+ 228.110718 156.7
[M-H]- 204.114224 145.6
[M+NH4]+ 223.155323 163.3
[M+K]+ 244.084658 152.5
[M+H-H2O]+ 188.118760 138.1
[M+HCOO]- 250.119701 165.2
[M+CH3COO]- 264.135351 185.7
[M+Na-2H]- 226.096166 150.0
[M]+ 205.12095142 147.9
[M]- 205.12204858 147.9
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

No patent data available for this compound.