CID 69166866

(3-bromophenyl)(cyclobutyl)methanamine

Structural Information

Molecular Formula
C11H14BrN
SMILES
C1CC(C1)C(C2=CC(=CC=C2)Br)N
InChI
InChI=1S/C11H14BrN/c12-10-6-2-5-9(7-10)11(13)8-3-1-4-8/h2,5-8,11H,1,3-4,13H2
InChIKey
LFULVMJBOCSCSE-UHFFFAOYSA-N
Compound name
(3-bromophenyl)-cyclobutylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

239.03096 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.03824 141.5
[M+Na]+ 262.02018 149.3
[M-H]- 238.02368 149.5
[M+NH4]+ 257.06478 155.9
[M+K]+ 277.99412 141.3
[M+H-H2O]+ 222.02822 135.7
[M+HCOO]- 284.02916 160.7
[M+CH3COO]- 298.04481 194.5
[M+Na-2H]- 260.00563 146.9
[M]+ 239.03041 163.6
[M]- 239.03151 163.6
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