CID 271299

Ethyl 5-amino-1-methyl-1h-pyrazole-4-carboxylate

Structural Information

Molecular Formula
C7H11N3O2
SMILES
CCOC(=O)C1=C(N(N=C1)C)N
InChI
InChI=1S/C7H11N3O2/c1-3-12-7(11)5-4-9-10(2)6(5)8/h4H,3,8H2,1-2H3
InChIKey
MEUSJJFWVKBUFP-UHFFFAOYSA-N
Compound name
ethyl 5-amino-1-methylpyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

454
Patents

169.08513 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.092406 134.8
[M+Na]+ 192.074348 144.0
[M-H]- 168.077854 136.1
[M+NH4]+ 187.118953 154.3
[M+K]+ 208.048288 143.1
[M+H-H2O]+ 152.082390 127.9
[M+HCOO]- 214.083331 158.3
[M+CH3COO]- 228.098981 180.6
[M+Na-2H]- 190.059796 138.4
[M]+ 169.08458142 136.2
[M]- 169.08567858 136.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe