CID 62740634

3-(3-bromophenyl)-2,2-dimethylpropan-1-amine hydrochloride

Structural Information

Molecular Formula
C11H16BrN
SMILES
CC(C)(CC1=CC(=CC=C1)Br)CN
InChI
InChI=1S/C11H16BrN/c1-11(2,8-13)7-9-4-3-5-10(12)6-9/h3-6H,7-8,13H2,1-2H3
InChIKey
LZTVAZIKIZXWMS-UHFFFAOYSA-N
Compound name
3-(3-bromophenyl)-2,2-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

241.04662 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.05390 148.4
[M+Na]+ 264.03584 151.1
[M+NH4]+ 259.08044 153.6
[M+K]+ 280.00978 150.6
[M-H]- 240.03934 149.6
[M+Na-2H]- 262.02129 152.1
[M]+ 241.04607 148.0
[M]- 241.04717 148.0
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