CID 57345832

871726-73-7

Structural Information

Molecular Formula

C₁₁H₁₇N₃O₂

SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)NN=C2

InChI

InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-5-4-8-6-12-13-9(8)7-14/h6H,4-5,7H2,1-3H3,(H,12,13)

InChIKey

XSHYMCSSTAWZOW-UHFFFAOYSA-N

Compound name

tert-butyl 1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 161
Patents: 223.13208 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	224.139356	154.1
[M+Na]+	246.121298	161.0
[M-H]-	222.124804	152.9
[M+NH4]+	241.165903	170.6
[M+K]+	262.095238	158.6
[M+H-H2O]+	206.129340	146.8
[M+HCOO]-	268.130281	168.3
[M+CH3COO]-	282.145931	184.6
[M+Na-2H]-	244.106746	158.1
[M]+	223.13153142	152.2
[M]-	223.13262858	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe