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

14
Patents

171.06439 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.07167 134.0
[M+Na]+ 194.05361 142.4
[M-H]- 170.05711 132.5
[M+NH4]+ 189.09821 151.7
[M+K]+ 210.02755 140.5
[M+H-H2O]+ 154.06165 127.4
[M+HCOO]- 216.06259 154.9
[M+CH3COO]- 230.07824 175.5
[M+Na-2H]- 192.03906 137.1
[M]+ 171.06384 132.6
[M]- 171.06494 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