CID 2726650

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

Structural Information

Molecular Formula
C9H8N2O2
SMILES
C1=CC=C(C=C1)C2=NC(=NO2)CO
InChI
InChI=1S/C9H8N2O2/c12-6-8-10-9(13-11-8)7-4-2-1-3-5-7/h1-5,12H,6H2
InChIKey
BOEQMFXGWDOSMJ-UHFFFAOYSA-N
Compound name
(5-phenyl-1,2,4-oxadiazol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

176.05858 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 133.6
[M+Na]+ 199.04780 142.9
[M-H]- 175.05130 137.5
[M+NH4]+ 194.09240 150.8
[M+K]+ 215.02174 141.2
[M+H-H2O]+ 159.05584 126.0
[M+HCOO]- 221.05678 155.8
[M+CH3COO]- 235.07243 147.3
[M+Na-2H]- 197.03325 141.3
[M]+ 176.05803 134.7
[M]- 176.05913 134.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe