CID 71305925

1251000-58-4

Structural Information

Molecular Formula
C12H20N4O2
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C(=NN2)CN
InChI
InChI=1S/C12H20N4O2/c1-12(2,3)18-11(17)16-5-4-9-8(7-16)10(6-13)15-14-9/h4-7,13H2,1-3H3,(H,14,15)
InChIKey
MMLCMFJWURJEBO-UHFFFAOYSA-N
Compound name
tert-butyl 3-(aminomethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.15863 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.16591 162.2
[M+Na]+ 275.14785 168.7
[M-H]- 251.15135 160.8
[M+NH4]+ 270.19245 177.3
[M+K]+ 291.12179 165.8
[M+H-H2O]+ 235.15589 154.9
[M+HCOO]- 297.15683 176.5
[M+CH3COO]- 311.17248 193.3
[M+Na-2H]- 273.13330 164.7
[M]+ 252.15808 159.5
[M]- 252.15918 159.5
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

No patent data available for this compound.