CID 4398135

[(3-chlorophenyl)methyl][2-(dimethylamino)ethyl]amine

Structural Information

Molecular Formula
C11H17ClN2
SMILES
CN(C)CCNCC1=CC(=CC=C1)Cl
InChI
InChI=1S/C11H17ClN2/c1-14(2)7-6-13-9-10-4-3-5-11(12)8-10/h3-5,8,13H,6-7,9H2,1-2H3
InChIKey
GBKJHWRWDOWQDG-UHFFFAOYSA-N
Compound name
N-[(3-chlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

212.10803 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11531 148.4
[M+Na]+ 235.09725 155.1
[M-H]- 211.10075 153.0
[M+NH4]+ 230.14185 168.3
[M+K]+ 251.07119 151.9
[M+H-H2O]+ 195.10529 142.4
[M+HCOO]- 257.10623 170.3
[M+CH3COO]- 271.12188 195.5
[M+Na-2H]- 233.08270 154.0
[M]+ 212.10748 151.2
[M]- 212.10858 151.2
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