CID 13248993

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

222
Patents

155.06947 Da
Monoisotopic Mass

0.1
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