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

22
Patents

237.14772 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.15500 158.6
[M+Na]+ 260.13694 166.0
[M-H]- 236.14044 157.7
[M+NH4]+ 255.18154 174.9
[M+K]+ 276.11088 163.4
[M+H-H2O]+ 220.14498 151.6
[M+HCOO]- 282.14592 172.5
[M+CH3COO]- 296.16157 188.8
[M+Na-2H]- 258.12239 161.4
[M]+ 237.14717 157.6
[M]- 237.14827 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