CID 53256993

3-(3-bromophenyl)oxetan-3-amine hydrochloride

Structural Information

Molecular Formula
C9H10BrNO
SMILES
C1C(CO1)(C2=CC(=CC=C2)Br)N
InChI
InChI=1S/C9H10BrNO/c10-8-3-1-2-7(4-8)9(11)5-12-6-9/h1-4H,5-6,11H2
InChIKey
ANNHVZNUGWIITD-UHFFFAOYSA-N
Compound name
3-(3-bromophenyl)oxetan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

226.99458 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.00186 139.9
[M+Na]+ 249.98380 139.6
[M+NH4]+ 245.02840 143.3
[M+K]+ 265.95774 139.8
[M-H]- 225.98730 141.2
[M+Na-2H]- 247.96925 143.5
[M]+ 226.99403 138.2
[M]- 226.99513 138.2
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.