CID 131423907

2137768-58-0

Structural Information

Molecular Formula

C₈H₁₁N₃O₂

SMILES

COC(=O)C1=C2CNCCN2N=C1

InChI

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

InChIKey

WMGYLLOUHGJALO-UHFFFAOYSA-N

Compound name

methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 181.08513 Da
Monoisotopic Mass: -0.8
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]+	182.092406	138.7
[M+Na]+	204.074348	146.4
[M-H]-	180.077854	137.6
[M+NH4]+	199.118953	156.6
[M+K]+	220.048288	144.3
[M+H-H2O]+	164.082390	131.1
[M+HCOO]-	226.083331	155.5
[M+CH3COO]-	240.098981	176.6
[M+Na-2H]-	202.059796	143.5
[M]+	181.08458142	136.5
[M]-	181.08567858	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe