CID 683559

23286-70-6

Structural Information

Molecular Formula
C7H11N3O2
SMILES
CCOC(=O)C1=C(NN=C1N)C
InChI
InChI=1S/C7H11N3O2/c1-3-12-7(11)5-4(2)9-10-6(5)8/h3H2,1-2H3,(H3,8,9,10)
InChIKey
WOCMIZZYXHVSPS-UHFFFAOYSA-N
Compound name
ethyl 3-amino-5-methyl-1H-pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

188
Patents

169.08513 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09241 135.7
[M+Na]+ 192.07435 144.4
[M-H]- 168.07785 135.5
[M+NH4]+ 187.11895 154.4
[M+K]+ 208.04829 142.6
[M+H-H2O]+ 152.08239 128.9
[M+HCOO]- 214.08333 157.5
[M+CH3COO]- 228.09898 178.1
[M+Na-2H]- 190.05980 138.7
[M]+ 169.08458 135.1
[M]- 169.08568 135.1
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