CID 56604666

3-(4-bromophenyl)oxetan-3-amine hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
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 132.3
[M+Na]+ 249.98380 142.0
[M-H]- 225.98730 141.7
[M+NH4]+ 245.02840 148.1
[M+K]+ 265.95774 135.6
[M+H-H2O]+ 209.99184 128.1
[M+HCOO]- 271.99278 152.6
[M+CH3COO]- 286.00843 189.6
[M+Na-2H]- 247.96925 142.0
[M]+ 226.99403 156.9
[M]- 226.99513 156.9
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

patents stripe