CID 223690

5-amino-1-(2-hydroxyethyl)-1h-pyrazole-4-carboxamide

Structural Information

Molecular Formula
C6H10N4O2
SMILES
C1=NN(C(=C1C(=O)N)N)CCO
InChI
InChI=1S/C6H10N4O2/c7-5-4(6(8)12)3-9-10(5)1-2-11/h3,11H,1-2,7H2,(H2,8,12)
InChIKey
DLEVMTCGZIVZFS-UHFFFAOYSA-N
Compound name
5-amino-1-(2-hydroxyethyl)pyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
Patents

170.08037 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.087646 134.4
[M+Na]+ 193.069588 142.5
[M-H]- 169.073094 133.9
[M+NH4]+ 188.114193 152.3
[M+K]+ 209.043528 140.6
[M+H-H2O]+ 153.077630 127.2
[M+HCOO]- 215.078571 157.0
[M+CH3COO]- 229.094221 180.4
[M+Na-2H]- 191.055036 137.4
[M]+ 170.07982142 131.8
[M]- 170.08091858 131.8
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