CID 3043614

3-bromo-4-dimethylamino-alpha-methylphenethylamine dihydrochloride

Structural Information

Molecular Formula
C11H17BrN2
SMILES
CC(CC1=CC(=C(C=C1)N(C)C)Br)N
InChI
InChI=1S/C11H17BrN2/c1-8(13)6-9-4-5-11(14(2)3)10(12)7-9/h4-5,7-8H,6,13H2,1-3H3
InChIKey
LIIZKMKTZVALJX-UHFFFAOYSA-N
Compound name
4-(2-aminopropyl)-2-bromo-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

256.0575 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.06478 153.1
[M+Na]+ 279.04672 162.6
[M-H]- 255.05022 160.0
[M+NH4]+ 274.09132 173.6
[M+K]+ 295.02066 151.8
[M+H-H2O]+ 239.05476 151.4
[M+HCOO]- 301.05570 174.9
[M+CH3COO]- 315.07135 202.3
[M+Na-2H]- 277.03217 157.0
[M]+ 256.05695 170.8
[M]- 256.05805 170.8
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.