CID 135565531

Unii-zgl5e40f57

Structural Information

Molecular Formula
C13H14N2O3
SMILES
CCCC1=NOC(=N1)/C=C/C2=CC(=C(C=C2)O)O
InChI
InChI=1S/C13H14N2O3/c1-2-3-12-14-13(18-15-12)7-5-9-4-6-10(16)11(17)8-9/h4-8,16-17H,2-3H2,1H3/b7-5+
InChIKey
MAWOOXDYMFRJNN-FNORWQNLSA-N
Compound name
4-[(E)-2-(3-propyl-1,2,4-oxadiazol-5-yl)ethenyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

246.10045 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.107726 155.3
[M+Na]+ 269.089668 164.5
[M-H]- 245.093174 158.0
[M+NH4]+ 264.134273 169.4
[M+K]+ 285.063608 160.9
[M+H-H2O]+ 229.097710 147.6
[M+HCOO]- 291.098651 175.1
[M+CH3COO]- 305.114301 187.4
[M+Na-2H]- 267.075116 158.9
[M]+ 246.09990142 157.4
[M]- 246.10099858 157.4
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