CID 50988070

2-(2,6-dichlorophenyl)-2-methylpropan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H13Cl2N
SMILES
CC(C)(CN)C1=C(C=CC=C1Cl)Cl
InChI
InChI=1S/C10H13Cl2N/c1-10(2,6-13)9-7(11)4-3-5-8(9)12/h3-5H,6,13H2,1-2H3
InChIKey
IELPHKNECATTMW-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-2-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

217.04251 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.04979 146.3
[M+Na]+ 240.03173 155.8
[M-H]- 216.03523 149.1
[M+NH4]+ 235.07633 166.2
[M+K]+ 256.00567 150.1
[M+H-H2O]+ 200.03977 142.7
[M+HCOO]- 262.04071 159.6
[M+CH3COO]- 276.05636 189.6
[M+Na-2H]- 238.01718 150.9
[M]+ 217.04196 148.0
[M]- 217.04306 148.0
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