CID 23008097

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

Structural Information

Molecular Formula
C10H10BrN3O
SMILES
CC(C1=NC(=NO1)C2=CC=C(C=C2)Br)N
InChI
InChI=1S/C10H10BrN3O/c1-6(12)10-13-9(14-15-10)7-2-4-8(11)5-3-7/h2-6H,12H2,1H3
InChIKey
OITYJBPQIAURJW-UHFFFAOYSA-N
Compound name
1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.00073 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.00801 151.3
[M+Na]+ 289.98995 163.2
[M-H]- 265.99345 158.7
[M+NH4]+ 285.03455 169.0
[M+K]+ 305.96389 152.9
[M+H-H2O]+ 249.99799 149.4
[M+HCOO]- 311.99893 171.5
[M+CH3COO]- 326.01458 165.8
[M+Na-2H]- 287.97540 157.2
[M]+ 267.00018 169.9
[M]- 267.00128 169.9
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.