CID 20119571

5-(naphthalen-2-ylmethyl)-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C13H11N3O
SMILES
C1=CC=C2C=C(C=CC2=C1)CC3=NN=C(O3)N
InChI
InChI=1S/C13H11N3O/c14-13-16-15-12(17-13)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H2,14,16)
InChIKey
NXDLPMQTRAVDLA-UHFFFAOYSA-N
Compound name
5-(naphthalen-2-ylmethyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.09021 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.097486 147.3
[M+Na]+ 248.079428 158.0
[M-H]- 224.082934 153.4
[M+NH4]+ 243.124033 163.9
[M+K]+ 264.053368 154.2
[M+H-H2O]+ 208.087470 138.9
[M+HCOO]- 270.088411 171.1
[M+CH3COO]- 284.104061 160.8
[M+Na-2H]- 246.064876 155.9
[M]+ 225.08966142 149.2
[M]- 225.09075858 149.2
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.