CID 18445864

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

Structural Information

Molecular Formula
C5H7N3O2
SMILES
COC(=O)C1=CC(=NN1)N
InChI
InChI=1S/C5H7N3O2/c1-10-5(9)3-2-4(6)8-7-3/h2H,1H3,(H3,6,7,8)
InChIKey
WUKSVVOCYHTIMV-UHFFFAOYSA-N
Compound name
methyl 3-amino-1H-pyrazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

326
Patents

141.05383 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06111 126.6
[M+Na]+ 164.04305 135.2
[M-H]- 140.04655 126.3
[M+NH4]+ 159.08765 146.1
[M+K]+ 180.01699 133.9
[M+H-H2O]+ 124.05109 119.8
[M+HCOO]- 186.05203 149.1
[M+CH3COO]- 200.06768 170.8
[M+Na-2H]- 162.02850 131.4
[M]+ 141.05328 124.9
[M]- 141.05438 124.9
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