CID 71299236

1393845-78-7

Structural Information

Molecular Formula
C11H17N3O2
SMILES
CC(C)(C)OC(=O)N1CCCC2=C1C=NN2
InChI
InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-6-4-5-8-9(14)7-12-13-8/h7H,4-6H2,1-3H3,(H,12,13)
InChIKey
VUEOIIWQDOZFFL-UHFFFAOYSA-N
Compound name
tert-butyl 1,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

223.13208 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.13936 151.5
[M+Na]+ 246.12130 160.8
[M+NH4]+ 241.16590 157.7
[M+K]+ 262.09524 158.7
[M-H]- 222.12480 149.6
[M+Na-2H]- 244.10675 153.9
[M]+ 223.13153 151.9
[M]- 223.13263 151.9
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

patents stripe