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

60
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 149.9
[M+Na]+ 264.03584 160.1
[M-H]- 240.03934 155.5
[M+NH4]+ 259.08044 170.8
[M+K]+ 280.00978 148.2
[M+H-H2O]+ 224.04388 149.7
[M+HCOO]- 286.04482 170.0
[M+CH3COO]- 300.06047 192.9
[M+Na-2H]- 262.02129 156.8
[M]+ 241.04607 167.1
[M]- 241.04717 167.1
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