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[5,4-c]pyridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

238.14297 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.150246 157.8
[M+Na]+ 261.132188 164.7
[M-H]- 237.135694 156.5
[M+NH4]+ 256.176793 173.4
[M+K]+ 277.106128 162.0
[M+H-H2O]+ 221.140230 150.6
[M+HCOO]- 283.141171 172.4
[M+CH3COO]- 297.156821 190.3
[M+Na-2H]- 259.117636 160.7
[M]+ 238.14242142 154.7
[M]- 238.14351858 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