CID 3040218

Brn 0808318

Structural Information

Molecular Formula
C11H11N3O3
SMILES
CC(=O)NC1=NC(=NO1)C(C2=CC=CC=C2)O
InChI
InChI=1S/C11H11N3O3/c1-7(15)12-11-13-10(14-17-11)9(16)8-5-3-2-4-6-8/h2-6,9,16H,1H3,(H,12,13,14,15)
InChIKey
CEZXOUZEIYYWMT-UHFFFAOYSA-N
Compound name
N-[3-[hydroxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.08005 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.08733 150.0
[M+Na]+ 256.06927 157.1
[M-H]- 232.07277 153.9
[M+NH4]+ 251.11387 164.2
[M+K]+ 272.04321 155.8
[M+H-H2O]+ 216.07731 141.7
[M+HCOO]- 278.07825 171.1
[M+CH3COO]- 292.09390 188.3
[M+Na-2H]- 254.05472 154.8
[M]+ 233.07950 150.5
[M]- 233.08060 150.5
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.