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

53
Patents

226.99458 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.001856 132.3
[M+Na]+ 249.983798 142.0
[M-H]- 225.987304 141.7
[M+NH4]+ 245.028403 148.1
[M+K]+ 265.957738 135.6
[M+H-H2O]+ 209.991840 128.1
[M+HCOO]- 271.992781 152.6
[M+CH3COO]- 286.008431 189.6
[M+Na-2H]- 247.969246 142.0
[M]+ 226.99403142 156.9
[M]- 226.99512858 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