CID 60929838

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

Structural Information

Molecular Formula
C11H12FN3O
SMILES
CC1=C(C=CC(=C1)C2=NOC(=N2)C(C)N)F
InChI
InChI=1S/C11H12FN3O/c1-6-5-8(3-4-9(6)12)10-14-11(7(2)13)16-15-10/h3-5,7H,13H2,1-2H3
InChIKey
ISRCMEDVZCVWKO-UHFFFAOYSA-N
Compound name
1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
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 147.8
[M+Na]+ 244.08566 157.5
[M-H]- 220.08916 151.7
[M+NH4]+ 239.13026 163.8
[M+K]+ 260.05960 155.1
[M+H-H2O]+ 204.09370 139.0
[M+HCOO]- 266.09464 169.0
[M+CH3COO]- 280.11029 191.5
[M+Na-2H]- 242.07111 151.0
[M]+ 221.09589 147.5
[M]- 221.09699 147.5
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

No patent data available for this compound.