CID 19754734

3-amino-1-methyl-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C5H7N3O2
SMILES
CN1C=C(C(=N1)N)C(=O)O
InChI
InChI=1S/C5H7N3O2/c1-8-2-3(5(9)10)4(6)7-8/h2H,1H3,(H2,6,7)(H,9,10)
InChIKey
HWHYJHNAHXOFAA-UHFFFAOYSA-N
Compound name
3-amino-1-methylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

141.05383 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06111 126.9
[M+Na]+ 164.04305 136.5
[M+NH4]+ 159.08765 133.2
[M+K]+ 180.01699 135.3
[M-H]- 140.04655 125.9
[M+Na-2H]- 162.02850 130.6
[M]+ 141.05328 127.5
[M]- 141.05438 127.5
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