CID 43665715

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

Structural Information

Molecular Formula
C12H15N3O
SMILES
CCC1=NOC(=N1)C2=CC=C(C=C2)CCN
InChI
InChI=1S/C12H15N3O/c1-2-11-14-12(16-15-11)10-5-3-9(4-6-10)7-8-13/h3-6H,2,7-8,13H2,1H3
InChIKey
YNPIXLIBKJGSSR-UHFFFAOYSA-N
Compound name
2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.1215 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.128776 148.9
[M+Na]+ 240.110718 157.5
[M-H]- 216.114224 153.5
[M+NH4]+ 235.155323 164.9
[M+K]+ 256.084658 154.9
[M+H-H2O]+ 200.118760 140.5
[M+HCOO]- 262.119701 171.8
[M+CH3COO]- 276.135351 189.7
[M+Na-2H]- 238.096166 154.1
[M]+ 217.12095142 150.2
[M]- 217.12204858 150.2
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.