CID 13324840

Methyl 5-amino-1-methyl-1h-pyrazole-3-carboxylate

Structural Information

Molecular Formula
C6H9N3O2
SMILES
CN1C(=CC(=N1)C(=O)OC)N
InChI
InChI=1S/C6H9N3O2/c1-9-5(7)3-4(8-9)6(10)11-2/h3H,7H2,1-2H3
InChIKey
WUIXVASZWOGVEU-UHFFFAOYSA-N
Compound name
methyl 5-amino-1-methylpyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

185
Patents

155.06947 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe