CID 16643595

[2-amino-2-(3,4-dichlorophenyl)ethyl]dimethylamine

Structural Information

Molecular Formula
C10H14Cl2N2
SMILES
CN(C)CC(C1=CC(=C(C=C1)Cl)Cl)N
InChI
InChI=1S/C10H14Cl2N2/c1-14(2)6-10(13)7-3-4-8(11)9(12)5-7/h3-5,10H,6,13H2,1-2H3
InChIKey
YOFLNTLVVZMXLU-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-N',N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

232.0534 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.06068 150.8
[M+Na]+ 255.04262 159.0
[M-H]- 231.04612 154.7
[M+NH4]+ 250.08722 170.2
[M+K]+ 271.01656 154.6
[M+H-H2O]+ 215.05066 146.3
[M+HCOO]- 277.05160 166.3
[M+CH3COO]- 291.06725 198.3
[M+Na-2H]- 253.02807 153.1
[M]+ 232.05285 153.1
[M]- 232.05395 153.1
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