CID 28581237

{2-[(3-bromophenyl)amino]ethyl}dimethylamine

Structural Information

Molecular Formula
C10H15BrN2
SMILES
CN(C)CCNC1=CC(=CC=C1)Br
InChI
InChI=1S/C10H15BrN2/c1-13(2)7-6-12-10-5-3-4-9(11)8-10/h3-5,8,12H,6-7H2,1-2H3
InChIKey
NTMUDWQRSUZEMP-UHFFFAOYSA-N
Compound name
N-(3-bromophenyl)-N',N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

242.04185 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.04913 147.1
[M+Na]+ 265.03107 156.4
[M-H]- 241.03457 154.3
[M+NH4]+ 260.07567 168.2
[M+K]+ 281.00501 145.9
[M+H-H2O]+ 225.03911 145.4
[M+HCOO]- 287.04005 170.9
[M+CH3COO]- 301.05570 198.2
[M+Na-2H]- 263.01652 154.5
[M]+ 242.04130 165.8
[M]- 242.04240 165.8
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

patents stripe