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

438
Patents

169.08513 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09241 134.8
[M+Na]+ 192.07435 144.0
[M-H]- 168.07785 136.1
[M+NH4]+ 187.11895 154.3
[M+K]+ 208.04829 143.1
[M+H-H2O]+ 152.08239 127.9
[M+HCOO]- 214.08333 158.3
[M+CH3COO]- 228.09898 180.6
[M+Na-2H]- 190.05980 138.4
[M]+ 169.08458 136.2
[M]- 169.08568 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