CID 49759218

Tert-butyl 3-methyl-2h,4h,5h,6h,7h-pyrazolo[4,3-c]pyridine-5-carboxylate

Structural Information

Molecular Formula
C12H19N3O2
SMILES
CC1=C2CN(CCC2=NN1)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H19N3O2/c1-8-9-7-15(6-5-10(9)14-13-8)11(16)17-12(2,3)4/h5-7H2,1-4H3,(H,13,14)
InChIKey
SHUQCUCIHVYJSB-UHFFFAOYSA-N
Compound name
tert-butyl 3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

237.14772 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.154996 158.6
[M+Na]+ 260.136938 166.0
[M-H]- 236.140444 157.7
[M+NH4]+ 255.181543 174.9
[M+K]+ 276.110878 163.4
[M+H-H2O]+ 220.144980 151.6
[M+HCOO]- 282.145921 172.5
[M+CH3COO]- 296.161571 188.8
[M+Na-2H]- 258.122386 161.4
[M]+ 237.14717142 157.6
[M]- 237.14826858 157.6
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