CID 28428646

[(2-bromophenyl)methyl](2-methylpropyl)amine

Structural Information

Molecular Formula
C11H16BrN
SMILES
CC(C)CNCC1=CC=CC=C1Br
InChI
InChI=1S/C11H16BrN/c1-9(2)7-13-8-10-5-3-4-6-11(10)12/h3-6,9,13H,7-8H2,1-2H3
InChIKey
ORZZHXXYUMBVET-UHFFFAOYSA-N
Compound name
N-[(2-bromophenyl)methyl]-2-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.04662 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.05390 148.8
[M+Na]+ 264.03584 158.3
[M-H]- 240.03934 154.7
[M+NH4]+ 259.08044 169.8
[M+K]+ 280.00978 146.9
[M+H-H2O]+ 224.04388 148.1
[M+HCOO]- 286.04482 170.0
[M+CH3COO]- 300.06047 194.0
[M+Na-2H]- 262.02129 155.0
[M]+ 241.04607 166.9
[M]- 241.04717 166.9
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

No patent data available for this compound.