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]+ 220.108046 147.1
[M+Na]+ 242.089988 156.0
[M-H]- 218.093494 151.9
[M+NH4]+ 237.134593 162.9
[M+K]+ 258.063928 154.2
[M+H-H2O]+ 202.098030 138.7
[M+HCOO]- 264.098971 170.6
[M+CH3COO]- 278.114621 188.8
[M+Na-2H]- 240.075436 152.9
[M]+ 219.10022142 149.5
[M]- 219.10131858 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