CID 67755361

Methyl 5-amino-4-methyl-1h-pyrazole-3-carboxylate

Structural Information

Molecular Formula
C6H9N3O2
SMILES
CC1=C(NN=C1N)C(=O)OC
InChI
InChI=1S/C6H9N3O2/c1-3-4(6(10)11-2)8-9-5(3)7/h1-2H3,(H3,7,8,9)
InChIKey
ZQZMLNHVAVSFGW-UHFFFAOYSA-N
Compound name
methyl 3-amino-4-methyl-1H-pyrazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

155.06947 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.07675 131.1
[M+Na]+ 178.05869 140.3
[M-H]- 154.06219 131.1
[M+NH4]+ 173.10329 150.4
[M+K]+ 194.03263 138.7
[M+H-H2O]+ 138.06673 124.5
[M+HCOO]- 200.06767 153.3
[M+CH3COO]- 214.08332 175.0
[M+Na-2H]- 176.04414 134.7
[M]+ 155.06892 130.2
[M]- 155.07002 130.2
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