CID 43345659

1-(3-bromophenyl)cyclobutan-1-amine

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

15
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 135.1
[M+Na]+ 248.00452 144.6
[M-H]- 224.00802 143.8
[M+NH4]+ 243.04912 152.1
[M+K]+ 263.97846 136.4
[M+H-H2O]+ 208.01256 130.9
[M+HCOO]- 270.01350 155.7
[M+CH3COO]- 284.02915 190.6
[M+Na-2H]- 245.98997 143.3
[M]+ 225.01475 158.0
[M]- 225.01585 158.0
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