CID 83851015

152559-31-4

Structural Information

Molecular Formula
C11H17N3O3
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)NNC2=O
InChI
InChI=1S/C11H17N3O3/c1-11(2,3)17-10(16)14-5-4-7-8(6-14)12-13-9(7)15/h4-6H2,1-3H3,(H2,12,13,15)
InChIKey
DSAFVJWOGDRKKN-UHFFFAOYSA-N
Compound name
tert-butyl 3-oxo-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

239.127 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.13428 154.3
[M+Na]+ 262.11622 162.8
[M+NH4]+ 257.16082 159.2
[M+K]+ 278.09016 161.8
[M-H]- 238.11972 151.1
[M+Na-2H]- 260.10167 155.3
[M]+ 239.12645 154.1
[M]- 239.12755 154.1
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