CID 15140326

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

155.06947 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.07675 130.2
[M+Na]+ 178.05869 139.8
[M-H]- 154.06219 131.6
[M+NH4]+ 173.10329 150.3
[M+K]+ 194.03263 139.2
[M+H-H2O]+ 138.06673 123.5
[M+HCOO]- 200.06767 154.0
[M+CH3COO]- 214.08332 177.5
[M+Na-2H]- 176.04414 134.3
[M]+ 155.06892 131.2
[M]- 155.07002 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

literature stripe

Patent stripe

patents stripe