CID 63345224

1342825-76-6

Structural Information

Molecular Formula
C9H9N3O2
SMILES
CC(C1=NC(=NO1)C2=CN=CC=C2)O
InChI
InChI=1S/C9H9N3O2/c1-6(13)9-11-8(12-14-9)7-3-2-4-10-5-7/h2-6,13H,1H3
InChIKey
GVIWSWSLVCHYRC-UHFFFAOYSA-N
Compound name
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.06947 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.076746 138.7
[M+Na]+ 214.058688 147.6
[M-H]- 190.062194 141.2
[M+NH4]+ 209.103293 153.7
[M+K]+ 230.032628 146.2
[M+H-H2O]+ 174.066730 130.2
[M+HCOO]- 236.067671 158.5
[M+CH3COO]- 250.083321 151.5
[M+Na-2H]- 212.044136 144.9
[M]+ 191.06892142 139.6
[M]- 191.07001858 139.6
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

No patent data available for this compound.