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

23
Patents

242.04185 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.049126 147.1
[M+Na]+ 265.031068 156.4
[M-H]- 241.034574 154.3
[M+NH4]+ 260.075673 168.2
[M+K]+ 281.005008 145.9
[M+H-H2O]+ 225.039110 145.4
[M+HCOO]- 287.040051 170.9
[M+CH3COO]- 301.055701 198.2
[M+Na-2H]- 263.016516 154.5
[M]+ 242.04130142 165.8
[M]- 242.04239858 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