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

18
Patents

253.14264 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.14992 161.9
[M+Na]+ 276.13186 168.6
[M-H]- 252.13536 159.6
[M+NH4]+ 271.17646 176.7
[M+K]+ 292.10580 165.8
[M+H-H2O]+ 236.13990 155.0
[M+HCOO]- 298.14084 174.4
[M+CH3COO]- 312.15649 188.5
[M+Na-2H]- 274.11731 164.4
[M]+ 253.14209 160.4
[M]- 253.14319 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