CID 3041365

1,3,4-oxadiazole-2-methanol, 5-(4-methylphenyl)-

Structural Information

Molecular Formula
C10H10N2O2
SMILES
CC1=CC=C(C=C1)C2=NN=C(O2)CO
InChI
InChI=1S/C10H10N2O2/c1-7-2-4-8(5-3-7)10-12-11-9(6-13)14-10/h2-5,13H,6H2,1H3
InChIKey
NKZFJQXLZIQHGS-UHFFFAOYSA-N
Compound name
[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

190.07423 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.081506 138.4
[M+Na]+ 213.063448 148.2
[M-H]- 189.066954 142.5
[M+NH4]+ 208.108053 155.4
[M+K]+ 229.037388 146.3
[M+H-H2O]+ 173.071490 131.0
[M+HCOO]- 235.072431 160.3
[M+CH3COO]- 249.088081 179.0
[M+Na-2H]- 211.048896 144.8
[M]+ 190.07368142 140.3
[M]- 190.07477858 140.3
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