CID 57345832

871726-73-7

Structural Information

Molecular Formula
C11H17N3O2
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)NN=C2
InChI
InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-5-4-8-6-12-13-9(8)7-14/h6H,4-5,7H2,1-3H3,(H,12,13)
InChIKey
XSHYMCSSTAWZOW-UHFFFAOYSA-N
Compound name
tert-butyl 1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

181
Patents

223.13208 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.13936 154.1
[M+Na]+ 246.12130 161.0
[M-H]- 222.12480 152.9
[M+NH4]+ 241.16590 170.6
[M+K]+ 262.09524 158.6
[M+H-H2O]+ 206.12934 146.8
[M+HCOO]- 268.13028 168.3
[M+CH3COO]- 282.14593 184.6
[M+Na-2H]- 244.10675 158.1
[M]+ 223.13153 152.2
[M]- 223.13263 152.2
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