CID 313342

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

141.05383 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.061106 126.2
[M+Na]+ 164.043048 135.7
[M-H]- 140.046554 126.4
[M+NH4]+ 159.087653 146.0
[M+K]+ 180.016988 134.4
[M+H-H2O]+ 124.051090 119.8
[M+HCOO]- 186.052031 148.8
[M+CH3COO]- 200.067681 172.7
[M+Na-2H]- 162.028496 130.3
[M]+ 141.05328142 125.0
[M]- 141.05437858 125.0
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