CID 20119829

5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C11H13N3O2
SMILES
COC1=CC=C(C=C1)CCC2=NN=C(O2)N
InChI
InChI=1S/C11H13N3O2/c1-15-9-5-2-8(3-6-9)4-7-10-13-14-11(12)16-10/h2-3,5-6H,4,7H2,1H3,(H2,12,14)
InChIKey
QBXMTWRMEHRPCR-UHFFFAOYSA-N
Compound name
5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

219.10077 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10805 147.1
[M+Na]+ 242.08999 156.0
[M-H]- 218.09349 151.9
[M+NH4]+ 237.13459 162.9
[M+K]+ 258.06393 154.2
[M+H-H2O]+ 202.09803 138.7
[M+HCOO]- 264.09897 170.6
[M+CH3COO]- 278.11462 188.8
[M+Na-2H]- 240.07544 152.9
[M]+ 219.10022 149.5
[M]- 219.10132 149.5
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