CID 3041372

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

Structural Information

Molecular Formula
C11H12N2O4
SMILES
COC1=C(C=C(C=C1)C2=NN=C(O2)CO)OC
InChI
InChI=1S/C11H12N2O4/c1-15-8-4-3-7(5-9(8)16-2)11-13-12-10(6-14)17-11/h3-5,14H,6H2,1-2H3
InChIKey
QXBWIVKQIOAFQQ-UHFFFAOYSA-N
Compound name
[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.07971 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.086986 148.7
[M+Na]+ 259.068928 158.6
[M-H]- 235.072434 153.0
[M+NH4]+ 254.113533 163.8
[M+K]+ 275.042868 157.6
[M+H-H2O]+ 219.076970 140.9
[M+HCOO]- 281.077911 170.6
[M+CH3COO]- 295.093561 187.5
[M+Na-2H]- 257.054376 153.9
[M]+ 236.07916142 154.1
[M]- 236.08025858 154.1
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.