CID 19845481

Methyl 5-amino-1,3-dimethyl-1h-pyrazole-4-carboxylate

Structural Information

Molecular Formula
C7H11N3O2
SMILES
CC1=NN(C(=C1C(=O)OC)N)C
InChI
InChI=1S/C7H11N3O2/c1-4-5(7(11)12-3)6(8)10(2)9-4/h8H2,1-3H3
InChIKey
IJPMTVHWFXFUOV-UHFFFAOYSA-N
Compound name
methyl 5-amino-1,3-dimethylpyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 134.6
[M+Na]+ 192.07435 144.7
[M-H]- 168.07785 136.2
[M+NH4]+ 187.11895 154.4
[M+K]+ 208.04829 143.8
[M+H-H2O]+ 152.08239 128.0
[M+HCOO]- 214.08333 158.0
[M+CH3COO]- 228.09898 181.8
[M+Na-2H]- 190.05980 137.5
[M]+ 169.08458 136.3
[M]- 169.08568 136.3
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