CID 75465246

1707576-03-1

Structural Information

Molecular Formula

C₈H₁₁N₃O₂

SMILES

COC(=O)C1=NNC2=C1CCNC2

InChI

InChI=1S/C8H11N3O2/c1-13-8(12)7-5-2-3-9-4-6(5)10-11-7/h9H,2-4H2,1H3,(H,10,11)

InChIKey

RYCFFYYVLDRPIY-UHFFFAOYSA-N

Compound name

methyl 4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 181.08513 Da
Monoisotopic Mass: -0.2
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]+	182.09241	139.4
[M+Na]+	204.07435	146.6
[M-H]-	180.07785	136.9
[M+NH4]+	199.11895	156.6
[M+K]+	220.04829	143.6
[M+H-H2O]+	164.08239	132.0
[M+HCOO]-	226.08333	154.7
[M+CH3COO]-	240.09898	174.1
[M+Na-2H]-	202.05980	143.6
[M]+	181.08458	135.3
[M]-	181.08568	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe