CID 135577944

111375-25-8

Structural Information

Molecular Formula
C5H8N4O2
SMILES
COC1=C(C(=NN1)N)C(=O)N
InChI
InChI=1S/C5H8N4O2/c1-11-5-2(4(7)10)3(6)8-9-5/h1H3,(H2,7,10)(H3,6,8,9)
InChIKey
IYCFIZNNSUHJFR-UHFFFAOYSA-N
Compound name
3-amino-5-methoxy-1H-pyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.06473 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.072006 130.0
[M+Na]+ 179.053948 138.5
[M-H]- 155.057454 129.6
[M+NH4]+ 174.098553 148.4
[M+K]+ 195.027888 136.8
[M+H-H2O]+ 139.061990 123.0
[M+HCOO]- 201.062931 152.9
[M+CH3COO]- 215.078581 177.3
[M+Na-2H]- 177.039396 133.5
[M]+ 156.06418142 127.0
[M]- 156.06527858 127.0
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

No patent data available for this compound.