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

literature stripe

Patent stripe

patents stripe