CID 12861871

(2-aminoethyl)[(3-chlorophenyl)methyl]ethylamine

Structural Information

Molecular Formula
C11H17ClN2
SMILES
CCN(CCN)CC1=CC(=CC=C1)Cl
InChI
InChI=1S/C11H17ClN2/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
CEGPYWJJEVYOQS-UHFFFAOYSA-N
Compound name
N'-[(3-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

11
Patents

212.10803 Da
Monoisotopic Mass

2.1
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

literature stripe

Patent stripe

patents stripe