CID 105439296

2055405-85-9

Structural Information

Molecular Formula

C₈H₁₁N₃O₂

SMILES

COC(=O)C1=NN2CCNCC2=C1

InChI

InChI=1S/C8H11N3O2/c1-13-8(12)7-4-6-5-9-2-3-11(6)10-7/h4,9H,2-3,5H2,1H3

InChIKey

INGFEERWGRIURH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 181.08513 Da
Monoisotopic Mass: -0.5
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	138.7
[M+Na]+	204.07435	146.4
[M-H]-	180.07785	137.6
[M+NH4]+	199.11895	156.6
[M+K]+	220.04829	144.3
[M+H-H2O]+	164.08239	131.1
[M+HCOO]-	226.08333	155.5
[M+CH3COO]-	240.09898	176.6
[M+Na-2H]-	202.05980	143.5
[M]+	181.08458	136.5
[M]-	181.08568	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe