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

10
Patents

212.10803 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.115306 148.4
[M+Na]+ 235.097248 155.1
[M-H]- 211.100754 153.0
[M+NH4]+ 230.141853 168.3
[M+K]+ 251.071188 151.9
[M+H-H2O]+ 195.105290 142.4
[M+HCOO]- 257.106231 170.3
[M+CH3COO]- 271.121881 195.5
[M+Na-2H]- 233.082696 154.0
[M]+ 212.10748142 151.2
[M]- 212.10857858 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