CID 12861872

(2-aminoethyl)[(4-chlorophenyl)methyl]ethylamine dihydrochloride

Structural Information

Molecular Formula
C11H17ClN2
SMILES
CCN(CCN)CC1=CC=C(C=C1)Cl
InChI
InChI=1S/C11H17ClN2/c1-2-14(8-7-13)9-10-3-5-11(12)6-4-10/h3-6H,2,7-9,13H2,1H3
InChIKey
OJJLINUDLBPOAS-UHFFFAOYSA-N
Compound name
N'-[(4-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

212.10803 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.115306 148.8
[M+Na]+ 235.097248 155.6
[M-H]- 211.100754 152.9
[M+NH4]+ 230.141853 168.5
[M+K]+ 251.071188 152.0
[M+H-H2O]+ 195.105290 142.9
[M+HCOO]- 257.106231 170.1
[M+CH3COO]- 271.121881 194.8
[M+Na-2H]- 233.082696 153.4
[M]+ 212.10748142 150.6
[M]- 212.10857858 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