CID 16643565

[2-amino-2-(4-bromophenyl)ethyl]dimethylamine

Structural Information

Molecular Formula
C10H15BrN2
SMILES
CN(C)CC(C1=CC=C(C=C1)Br)N
InChI
InChI=1S/C10H15BrN2/c1-13(2)7-10(12)8-3-5-9(11)6-4-8/h3-6,10H,7,12H2,1-2H3
InChIKey
MGCUJCDYAGLWLF-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-N',N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.04185 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.04913 148.9
[M+Na]+ 265.03107 157.9
[M-H]- 241.03457 155.6
[M+NH4]+ 260.07567 169.7
[M+K]+ 281.00501 147.4
[M+H-H2O]+ 225.03911 147.2
[M+HCOO]- 287.04005 171.1
[M+CH3COO]- 301.05570 198.3
[M+Na-2H]- 263.01652 154.0
[M]+ 242.04130 165.9
[M]- 242.04240 165.9
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.