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]+ 192.07675 138.7
[M+Na]+ 214.05869 147.6
[M-H]- 190.06219 141.2
[M+NH4]+ 209.10329 153.7
[M+K]+ 230.03263 146.2
[M+H-H2O]+ 174.06673 130.2
[M+HCOO]- 236.06767 158.5
[M+CH3COO]- 250.08332 151.5
[M+Na-2H]- 212.04414 144.9
[M]+ 191.06892 139.6
[M]- 191.07002 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.