CID 5200378

895571-89-8

Structural Information

Molecular Formula

C₇H₁₁N₃O₂

SMILES

CCOC(=O)CN1C=CC(=N1)N

InChI

InChI=1S/C7H11N3O2/c1-2-12-7(11)5-10-4-3-6(8)9-10/h3-4H,2,5H2,1H3,(H2,8,9)

InChIKey

CPKKCNCVCRTEJX-UHFFFAOYSA-N

Compound name

ethyl 2-(3-aminopyrazol-1-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 102
Patents: 169.08513 Da
Monoisotopic Mass: 0.3
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]+	170.092406	135.0
[M+Na]+	192.074348	143.2
[M-H]-	168.077854	135.8
[M+NH4]+	187.118953	154.1
[M+K]+	208.048288	142.3
[M+H-H2O]+	152.082390	127.6
[M+HCOO]-	214.083331	158.4
[M+CH3COO]-	228.098981	179.4
[M+Na-2H]-	190.059796	139.3
[M]+	169.08458142	135.9
[M]-	169.08567858	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe