CID 28937844

(1-(4-bromophenyl)cyclobutyl)methanamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 139.7
[M+Na]+ 262.02018 148.8
[M-H]- 238.02368 148.2
[M+NH4]+ 257.06478 156.2
[M+K]+ 277.99412 140.4
[M+H-H2O]+ 222.02822 135.3
[M+HCOO]- 284.02916 159.9
[M+CH3COO]- 298.04481 193.3
[M+Na-2H]- 260.00563 147.4
[M]+ 239.03041 162.9
[M]- 239.03151 162.9
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