CID 43345659

1-(3-bromophenyl)cyclobutanamine

Structural Information

Molecular Formula
C10H12BrN
SMILES
C1CC(C1)(C2=CC(=CC=C2)Br)N
InChI
InChI=1S/C10H12BrN/c11-9-4-1-3-8(7-9)10(12)5-2-6-10/h1,3-4,7H,2,5-6,12H2
InChIKey
WIXMLWFYSVFSNY-UHFFFAOYSA-N
Compound name
1-(3-bromophenyl)cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

225.0153 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.02258 141.3
[M+Na]+ 248.00452 140.9
[M+NH4]+ 243.04912 145.1
[M+K]+ 263.97846 140.2
[M-H]- 224.00802 141.9
[M+Na-2H]- 245.98997 145.4
[M]+ 225.01475 139.5
[M]- 225.01585 139.5
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