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]+ 237.08699 148.7
[M+Na]+ 259.06893 158.6
[M-H]- 235.07243 153.0
[M+NH4]+ 254.11353 163.8
[M+K]+ 275.04287 157.6
[M+H-H2O]+ 219.07697 140.9
[M+HCOO]- 281.07791 170.6
[M+CH3COO]- 295.09356 187.5
[M+Na-2H]- 257.05438 153.9
[M]+ 236.07916 154.1
[M]- 236.08026 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.