CID 43740743

[2-(4-bromophenyl)propan-2-yl](2-methylpropyl)amine hydrochloride

Structural Information

Molecular Formula
C13H20BrN
SMILES
CC(C)CNC(C)(C)C1=CC=C(C=C1)Br
InChI
InChI=1S/C13H20BrN/c1-10(2)9-15-13(3,4)11-5-7-12(14)8-6-11/h5-8,10,15H,9H2,1-4H3
InChIKey
OXECLDGMDZCMTQ-UHFFFAOYSA-N
Compound name
N-[2-(4-bromophenyl)propan-2-yl]-2-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.0779 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.08518 158.5
[M+Na]+ 292.06712 167.6
[M-H]- 268.07062 164.4
[M+NH4]+ 287.11172 178.6
[M+K]+ 308.04106 156.1
[M+H-H2O]+ 252.07516 158.0
[M+HCOO]- 314.07610 177.6
[M+CH3COO]- 328.09175 199.9
[M+Na-2H]- 290.05257 164.2
[M]+ 269.07735 176.8
[M]- 269.07845 176.8
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.