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

20
Patents

168.06473 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.07201 131.9
[M+Na]+ 191.05395 141.4
[M-H]- 167.05745 129.8
[M+NH4]+ 186.09855 147.6
[M+K]+ 207.02789 139.3
[M+H-H2O]+ 151.06199 118.1
[M+HCOO]- 213.06293 149.6
[M+CH3COO]- 227.07858 187.5
[M+Na-2H]- 189.03940 136.0
[M]+ 168.06418 125.2
[M]- 168.06528 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