CID 63949312

Methyl 3-(3-amino-1h-pyrazol-1-yl)propanoate

Structural Information

Molecular Formula

C₇H₁₁N₃O₂

SMILES

COC(=O)CCN1C=CC(=N1)N

InChI

InChI=1S/C7H11N3O2/c1-12-7(11)3-5-10-4-2-6(8)9-10/h2,4H,3,5H2,1H3,(H2,8,9)

InChIKey

IIBMBKSLTKHWSZ-UHFFFAOYSA-N

Compound name

methyl 3-(3-aminopyrazol-1-yl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 169.08513 Da
Monoisotopic Mass: -0.4
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]+	170.09241	135.0
[M+Na]+	192.07435	143.2
[M-H]-	168.07785	135.8
[M+NH4]+	187.11895	154.1
[M+K]+	208.04829	142.3
[M+H-H2O]+	152.08239	127.6
[M+HCOO]-	214.08333	158.4
[M+CH3COO]-	228.09898	179.4
[M+Na-2H]-	190.05980	139.3
[M]+	169.08458	135.9
[M]-	169.08568	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe