CID 79093571

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

Structural Information

Molecular Formula
C11H16Cl2N2
SMILES
CN(C)CC(CC1=CC(=C(C=C1)Cl)Cl)N
InChI
InChI=1S/C11H16Cl2N2/c1-15(2)7-9(14)5-8-3-4-10(12)11(13)6-8/h3-4,6,9H,5,7,14H2,1-2H3
InChIKey
SYTMFKSPUVMFJZ-UHFFFAOYSA-N
Compound name
3-(3,4-dichlorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.06906 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.07634 155.5
[M+Na]+ 269.05828 163.2
[M-H]- 245.06178 159.2
[M+NH4]+ 264.10288 174.3
[M+K]+ 285.03222 158.6
[M+H-H2O]+ 229.06632 150.7
[M+HCOO]- 291.06726 170.6
[M+CH3COO]- 305.08291 201.3
[M+Na-2H]- 267.04373 157.2
[M]+ 246.06851 158.2
[M]- 246.06961 158.2
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

No patent data available for this compound.