CID 131353287

2694734-00-2

Structural Information

Molecular Formula

C₉H₁₃N₃O₂

SMILES

COC(=O)C1=NN2CCC(CC2=C1)N

InChI

InChI=1S/C9H13N3O2/c1-14-9(13)8-5-7-4-6(10)2-3-12(7)11-8/h5-6H,2-4,10H2,1H3

InChIKey

ISEBYZMFXWMRRM-UHFFFAOYSA-N

Compound name

methyl 5-amino-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 195.10077 Da
Monoisotopic Mass: -0.1
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]+	196.108046	141.8
[M+Na]+	218.089988	149.4
[M-H]-	194.093494	143.1
[M+NH4]+	213.134593	160.9
[M+K]+	234.063928	147.7
[M+H-H2O]+	178.098030	134.6
[M+HCOO]-	240.098971	161.5
[M+CH3COO]-	254.114621	184.7
[M+Na-2H]-	216.075436	145.4
[M]+	195.10022142	139.9
[M]-	195.10131858	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.