CID 135744191

51991-60-7

Structural Information

Molecular Formula
C9H8N2O3
SMILES
C1=CC=C(C=C1)COC2=NOC(=O)N2
InChI
InChI=1S/C9H8N2O3/c12-9-10-8(11-14-9)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11,12)
InChIKey
PHCWDJBEVKIOGO-UHFFFAOYSA-N
Compound name
3-phenylmethoxy-4H-1,2,4-oxadiazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

192.0535 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.06078 135.9
[M+Na]+ 215.04272 145.3
[M-H]- 191.04622 139.8
[M+NH4]+ 210.08732 152.3
[M+K]+ 231.01666 143.6
[M+H-H2O]+ 175.05076 128.2
[M+HCOO]- 237.05170 158.5
[M+CH3COO]- 251.06735 176.2
[M+Na-2H]- 213.02817 143.6
[M]+ 192.05295 137.7
[M]- 192.05405 137.7
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