CID 72211168

944902-01-6

Structural Information

Molecular Formula
C12H17N3O3
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C(=NN2)C=O
InChI
InChI=1S/C12H17N3O3/c1-12(2,3)18-11(17)15-5-4-9-8(6-15)10(7-16)14-13-9/h7H,4-6H2,1-3H3,(H,13,14)
InChIKey
OEAPLSZDUKMUEX-UHFFFAOYSA-N
Compound name
tert-butyl 3-formyl-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

251.127 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.13428 160.1
[M+Na]+ 274.11622 167.6
[M-H]- 250.11972 159.2
[M+NH4]+ 269.16082 175.6
[M+K]+ 290.09016 165.0
[M+H-H2O]+ 234.12426 153.1
[M+HCOO]- 296.12520 174.4
[M+CH3COO]- 310.14085 190.1
[M+Na-2H]- 272.10167 163.1
[M]+ 251.12645 159.8
[M]- 251.12755 159.8
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.