CID 12559049

1-(3,4-dichlorophenyl)-2-methylpropan-1-amine

Structural Information

Molecular Formula
C10H13Cl2N
SMILES
CC(C)C(C1=CC(=C(C=C1)Cl)Cl)N
InChI
InChI=1S/C10H13Cl2N/c1-6(2)10(13)7-3-4-8(11)9(12)5-7/h3-6,10H,13H2,1-2H3
InChIKey
GBHNWWAAJIPAFF-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-2-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

217.04251 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.04979 145.2
[M+Na]+ 240.03173 153.9
[M-H]- 216.03523 147.9
[M+NH4]+ 235.07633 164.9
[M+K]+ 256.00567 148.7
[M+H-H2O]+ 200.03977 141.5
[M+HCOO]- 262.04071 158.2
[M+CH3COO]- 276.05636 191.0
[M+Na-2H]- 238.01718 147.0
[M]+ 217.04196 146.4
[M]- 217.04306 146.4
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