CID 16767764

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine hydrochloride

Structural Information

Molecular Formula
C11H12FN3O
SMILES
C1=CC(=CC=C1C2=NOC(=N2)CCCN)F
InChI
InChI=1S/C11H12FN3O/c12-9-5-3-8(4-6-9)11-14-10(16-15-11)2-1-7-13/h3-6H,1-2,7,13H2
InChIKey
KAMZFYAIDNHZDU-UHFFFAOYSA-N
Compound name
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.09644 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.10372 146.7
[M+Na]+ 244.08566 155.7
[M-H]- 220.08916 150.0
[M+NH4]+ 239.13026 162.4
[M+K]+ 260.05960 152.9
[M+H-H2O]+ 204.09370 137.4
[M+HCOO]- 266.09464 168.9
[M+CH3COO]- 280.11029 189.4
[M+Na-2H]- 242.07111 151.8
[M]+ 221.09589 146.6
[M]- 221.09699 146.6
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.