CID 10398680

5-boc-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

Structural Information

Molecular Formula
C11H17N3O2
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C=NN2
InChI
InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-5-4-9-8(7-14)6-12-13-9/h6H,4-5,7H2,1-3H3,(H,12,13)
InChIKey
BHYPERDTLBCHAE-UHFFFAOYSA-N
Compound name
tert-butyl 1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

336
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

literature stripe

Patent stripe

patents stripe