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]+ 247.14411 156.3
[M+Na]+ 269.12605 163.8
[M-H]- 245.12955 160.6
[M+NH4]+ 264.17065 171.3
[M+K]+ 285.09999 161.8
[M+H-H2O]+ 229.13409 147.4
[M+HCOO]- 291.13503 178.3
[M+CH3COO]- 305.15068 192.4
[M+Na-2H]- 267.11150 161.6
[M]+ 246.13628 160.9
[M]- 246.13738 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.