CID 66568274

1353979-43-7

Structural Information

Molecular Formula
C11H17BrN2
SMILES
CCN(CCN)CC1=CC(=CC=C1)Br
InChI
InChI=1S/C11H17BrN2/c1-2-14(7-6-13)9-10-4-3-5-11(12)8-10/h3-5,8H,2,6-7,9,13H2,1H3
InChIKey
XSMDMHAMGOGFLG-UHFFFAOYSA-N
Compound name
N'-[(3-bromophenyl)methyl]-N'-ethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

256.0575 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.06478 152.5
[M+Na]+ 279.04672 161.4
[M-H]- 255.05022 159.0
[M+NH4]+ 274.09132 172.8
[M+K]+ 295.02066 150.2
[M+H-H2O]+ 239.05476 150.6
[M+HCOO]- 301.05570 175.4
[M+CH3COO]- 315.07135 200.4
[M+Na-2H]- 277.03217 158.3
[M]+ 256.05695 170.5
[M]- 256.05805 170.5
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.