CID 43627430

1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C12H15N3O
SMILES
CCC1=CC=C(C=C1)C2=NOC(=N2)C(C)N
InChI
InChI=1S/C12H15N3O/c1-3-9-4-6-10(7-5-9)11-14-12(8(2)13)16-15-11/h4-8H,3,13H2,1-2H3
InChIKey
CDRBKBSMQVZNPZ-UHFFFAOYSA-N
Compound name
1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.1215 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.12878 149.2
[M+Na]+ 240.11072 161.8
[M+NH4]+ 235.15532 156.7
[M+K]+ 256.08466 158.1
[M-H]- 216.11422 153.5
[M+Na-2H]- 238.09617 156.1
[M]+ 217.12095 152.1
[M]- 217.12205 152.1
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.