CID 7017722

637336-53-9

Structural Information

Molecular Formula

C₆H₉N₃O₂

SMILES

CN1C=C(C(=N1)C(=O)OC)N

InChI

InChI=1S/C6H9N3O2/c1-9-3-4(7)5(8-9)6(10)11-2/h3H,7H2,1-2H3

InChIKey

UBOGPSNFKMAOPP-UHFFFAOYSA-N

Compound name

methyl 4-amino-1-methylpyrazole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 245
Patents: 155.06947 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]+	156.076746	130.2
[M+Na]+	178.058688	139.8
[M-H]-	154.062194	131.6
[M+NH4]+	173.103293	150.3
[M+K]+	194.032628	139.2
[M+H-H2O]+	138.066730	123.5
[M+HCOO]-	200.067671	154.0
[M+CH3COO]-	214.083321	177.5
[M+Na-2H]-	176.044136	134.3
[M]+	155.06892142	131.2
[M]-	155.07001858	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe