CID 16228909

5-amino-3-(2-hydroxyethoxy)-1h-pyrazole-4-carbonitrile

Structural Information

Molecular Formula
C6H8N4O2
SMILES
C(COC1=NNC(=C1C#N)N)O
InChI
InChI=1S/C6H8N4O2/c7-3-4-5(8)9-10-6(4)12-2-1-11/h11H,1-2H2,(H3,8,9,10)
InChIKey
OFVVLLBVZJIOST-UHFFFAOYSA-N
Compound name
5-amino-3-(2-hydroxyethoxy)-1H-pyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

168.06473 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.072006 131.9
[M+Na]+ 191.053948 141.4
[M-H]- 167.057454 129.8
[M+NH4]+ 186.098553 147.6
[M+K]+ 207.027888 139.3
[M+H-H2O]+ 151.061990 118.1
[M+HCOO]- 213.062931 149.6
[M+CH3COO]- 227.078581 187.5
[M+Na-2H]- 189.039396 136.0
[M]+ 168.06418142 125.2
[M]- 168.06527858 125.2
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