CID 12569999

(5-phenyl-1,2,4-oxadiazol-3-yl)methanediol

Structural Information

Molecular Formula
C9H8N2O3
SMILES
C1=CC=C(C=C1)C2=NC(=NO2)C(O)O
InChI
InChI=1S/C9H8N2O3/c12-9(13)7-10-8(14-11-7)6-4-2-1-3-5-6/h1-5,9,12-13H
InChIKey
PWVUAKNWLYSEPY-UHFFFAOYSA-N
Compound name
(5-phenyl-1,2,4-oxadiazol-3-yl)methanediol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.0535 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.06078 138.7
[M+Na]+ 215.04272 151.0
[M+NH4]+ 210.08732 145.5
[M+K]+ 231.01666 148.9
[M-H]- 191.04622 140.9
[M+Na-2H]- 213.02817 145.2
[M]+ 192.05295 140.8
[M]- 192.05405 140.8
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.