CID 3365508

401819-90-7

Structural Information

Molecular Formula
C14H18N2O2
SMILES
CCCCCCOC1=CC=CC=C1C2=NN=CO2
InChI
InChI=1S/C14H18N2O2/c1-2-3-4-7-10-17-13-9-6-5-8-12(13)14-16-15-11-18-14/h5-6,8-9,11H,2-4,7,10H2,1H3
InChIKey
LNJJWHZDRMRJDO-UHFFFAOYSA-N
Compound name
2-(2-hexoxyphenyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.13683 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.144106 156.3
[M+Na]+ 269.126048 163.8
[M-H]- 245.129554 160.6
[M+NH4]+ 264.170653 171.3
[M+K]+ 285.099988 161.8
[M+H-H2O]+ 229.134090 147.4
[M+HCOO]- 291.135031 178.3
[M+CH3COO]- 305.150681 192.4
[M+Na-2H]- 267.111496 161.6
[M]+ 246.13628142 160.9
[M]- 246.13737858 160.9
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.