CID 12861870

(2-aminoethyl)[(2-chlorophenyl)methyl]ethylamine dihydrochloride

Structural Information

Molecular Formula
C11H17ClN2
SMILES
CCN(CCN)CC1=CC=CC=C1Cl
InChI
InChI=1S/C11H17ClN2/c1-2-14(8-7-13)9-10-5-3-4-6-11(10)12/h3-6H,2,7-9,13H2,1H3
InChIKey
CTJGJTKQOVVAKU-UHFFFAOYSA-N
Compound name
N'-[(2-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

212.10803 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11531 148.8
[M+Na]+ 235.09725 155.6
[M-H]- 211.10075 152.9
[M+NH4]+ 230.14185 168.5
[M+K]+ 251.07119 152.0
[M+H-H2O]+ 195.10529 142.9
[M+HCOO]- 257.10623 170.1
[M+CH3COO]- 271.12188 194.8
[M+Na-2H]- 233.08270 153.4
[M]+ 212.10748 150.6
[M]- 212.10858 150.6
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