CID 320053

5-amino-1-(2-hydroxyethyl)-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C6H9N3O3
SMILES
C1=NN(C(=C1C(=O)O)N)CCO
InChI
InChI=1S/C6H9N3O3/c7-5-4(6(11)12)3-8-9(5)1-2-10/h3,10H,1-2,7H2,(H,11,12)
InChIKey
MNYCPVYUUASZQS-UHFFFAOYSA-N
Compound name
5-amino-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

171.06439 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.071666 134.0
[M+Na]+ 194.053608 142.4
[M-H]- 170.057114 132.5
[M+NH4]+ 189.098213 151.7
[M+K]+ 210.027548 140.5
[M+H-H2O]+ 154.061650 127.4
[M+HCOO]- 216.062591 154.9
[M+CH3COO]- 230.078241 175.5
[M+Na-2H]- 192.039056 137.1
[M]+ 171.06384142 132.6
[M]- 171.06493858 132.6
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