CID 63623464

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

Structural Information

Molecular Formula
C9H10BrNO
SMILES
C1C(CO1)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C9H10BrNO/c10-7-1-3-8(4-2-7)11-9-5-12-6-9/h1-4,9,11H,5-6H2
InChIKey
MVCBHLRSKKAPPR-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)oxetan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

226.99458 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.00186 130.7
[M+Na]+ 249.98380 139.6
[M-H]- 225.98730 140.1
[M+NH4]+ 245.02840 144.8
[M+K]+ 265.95774 133.4
[M+H-H2O]+ 209.99184 125.3
[M+HCOO]- 271.99278 151.5
[M+CH3COO]- 286.00843 190.6
[M+Na-2H]- 247.96925 140.5
[M]+ 226.99403 155.7
[M]- 226.99513 155.7
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