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]+ 257.064776 152.5
[M+Na]+ 279.046718 161.4
[M-H]- 255.050224 159.0
[M+NH4]+ 274.091323 172.8
[M+K]+ 295.020658 150.2
[M+H-H2O]+ 239.054760 150.6
[M+HCOO]- 301.055701 175.4
[M+CH3COO]- 315.071351 200.4
[M+Na-2H]- 277.032166 158.3
[M]+ 256.05695142 170.5
[M]- 256.05804858 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