CID 71695397

398491-63-9

Structural Information

Molecular Formula
C11H18N4O2
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)NN=C2N
InChI
InChI=1S/C11H18N4O2/c1-11(2,3)17-10(16)15-5-4-7-8(6-15)13-14-9(7)12/h4-6H2,1-3H3,(H3,12,13,14)
InChIKey
YAHKFZGMKQRTKA-UHFFFAOYSA-N
Compound name
tert-butyl 3-amino-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

238.14297 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.15025 157.8
[M+Na]+ 261.13219 164.7
[M-H]- 237.13569 156.5
[M+NH4]+ 256.17679 173.4
[M+K]+ 277.10613 162.0
[M+H-H2O]+ 221.14023 150.6
[M+HCOO]- 283.14117 172.4
[M+CH3COO]- 297.15682 190.3
[M+Na-2H]- 259.11764 160.7
[M]+ 238.14242 154.7
[M]- 238.14352 154.7
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