CID 11276546

[(2-bromophenyl)methyl](tert-butyl)amine hydrochloride

Structural Information

Molecular Formula
C11H16BrN
SMILES
CC(C)(C)NCC1=CC=CC=C1Br
InChI
InChI=1S/C11H16BrN/c1-11(2,3)13-8-9-6-4-5-7-10(9)12/h4-7,13H,8H2,1-3H3
InChIKey
MPQADHAGNPRINL-UHFFFAOYSA-N
Compound name
N-[(2-bromophenyl)methyl]-2-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

241.04662 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.05390 149.1
[M+Na]+ 264.03584 159.4
[M-H]- 240.03934 155.3
[M+NH4]+ 259.08044 170.4
[M+K]+ 280.00978 148.0
[M+H-H2O]+ 224.04388 149.0
[M+HCOO]- 286.04482 169.8
[M+CH3COO]- 300.06047 192.9
[M+Na-2H]- 262.02129 157.1
[M]+ 241.04607 167.3
[M]- 241.04717 167.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe