CID 71305920

1250998-91-4

Structural Information

Molecular Formula
C12H19N3O3
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C(=NN2)CO
InChI
InChI=1S/C12H19N3O3/c1-12(2,3)18-11(17)15-5-4-9-8(6-15)10(7-16)14-13-9/h16H,4-7H2,1-3H3,(H,13,14)
InChIKey
JCHRTDLHTFGXQF-UHFFFAOYSA-N
Compound name
tert-butyl 3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

253.14264 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.149916 161.9
[M+Na]+ 276.131858 168.6
[M-H]- 252.135364 159.6
[M+NH4]+ 271.176463 176.7
[M+K]+ 292.105798 165.8
[M+H-H2O]+ 236.139900 155.0
[M+HCOO]- 298.140841 174.4
[M+CH3COO]- 312.156491 188.5
[M+Na-2H]- 274.117306 164.4
[M]+ 253.14209142 160.4
[M]- 253.14318858 160.4
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