CID 12042519

3-(5-methyl-1,2,4-oxadiazol-3-yl)phenol

Structural Information

Molecular Formula
C9H8N2O2
SMILES
CC1=NC(=NO1)C2=CC(=CC=C2)O
InChI
InChI=1S/C9H8N2O2/c1-6-10-9(11-13-6)7-3-2-4-8(12)5-7/h2-5,12H,1H3
InChIKey
DDCBVFRRESFKMF-UHFFFAOYSA-N
Compound name
3-(5-methyl-1,2,4-oxadiazol-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

176.05858 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 133.7
[M+Na]+ 199.04780 144.0
[M-H]- 175.05130 138.0
[M+NH4]+ 194.09240 151.3
[M+K]+ 215.02174 142.3
[M+H-H2O]+ 159.05584 126.5
[M+HCOO]- 221.05678 156.0
[M+CH3COO]- 235.07243 147.9
[M+Na-2H]- 197.03325 140.7
[M]+ 176.05803 135.3
[M]- 176.05913 135.3
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