CID 13248993

89088-56-2

Structural Information

Molecular Formula

C₆H₉N₃O₂

SMILES

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

InChI

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

InChIKey

IPYMLHZUKGMYTP-UHFFFAOYSA-N

Compound name

methyl 5-amino-2-methylpyrazole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 215
Patents: 155.06947 Da
Monoisotopic Mass: 0.1
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]+	156.07675	131.1
[M+Na]+	178.05869	141.1
[M+NH4]+	173.10329	137.6
[M+K]+	194.03263	139.3
[M-H]-	154.06219	130.6
[M+Na-2H]-	176.04414	135.1
[M]+	155.06892	131.9
[M]-	155.07002	131.9

Literature stripe

literature stripe

Patent stripe

patents stripe