CID 50989249

[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methanol

Structural Information

Molecular Formula
C10H10N2O3
SMILES
COC1=CC=C(C=C1)C2=NC(=NO2)CO
InChI
InChI=1S/C10H10N2O3/c1-14-8-4-2-7(3-5-8)10-11-9(6-13)12-15-10/h2-5,13H,6H2,1H3
InChIKey
FSYAFBNYQOUWKT-UHFFFAOYSA-N
Compound name
[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

206.06914 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.076416 141.2
[M+Na]+ 229.058358 150.9
[M-H]- 205.061864 145.4
[M+NH4]+ 224.102963 157.4
[M+K]+ 245.032298 149.5
[M+H-H2O]+ 189.066400 133.6
[M+HCOO]- 251.067341 163.3
[M+CH3COO]- 265.082991 181.1
[M+Na-2H]- 227.043806 147.7
[M]+ 206.06859142 144.5
[M]- 206.06968858 144.5
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

patents stripe