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

9
Patents

226.99458 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.001856 130.7
[M+Na]+ 249.983798 139.6
[M-H]- 225.987304 140.1
[M+NH4]+ 245.028403 144.8
[M+K]+ 265.957738 133.4
[M+H-H2O]+ 209.991840 125.3
[M+HCOO]- 271.992781 151.5
[M+CH3COO]- 286.008431 190.6
[M+Na-2H]- 247.969246 140.5
[M]+ 226.99403142 155.7
[M]- 226.99512858 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