CID 3043610

2-chloro-4-dimethylamino-alpha-methylphenethylamine dihydrochloride

Structural Information

Molecular Formula
C11H17ClN2
SMILES
CC(CC1=C(C=C(C=C1)N(C)C)Cl)N
InChI
InChI=1S/C11H17ClN2/c1-8(13)6-9-4-5-10(14(2)3)7-11(9)12/h4-5,7-8H,6,13H2,1-3H3
InChIKey
PHXIYUHXUSLPNG-UHFFFAOYSA-N
Compound name
4-(2-aminopropyl)-3-chloro-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

212.10803 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11531 149.0
[M+Na]+ 235.09725 156.4
[M-H]- 211.10075 153.6
[M+NH4]+ 230.14185 168.9
[M+K]+ 251.07119 153.4
[M+H-H2O]+ 195.10529 143.5
[M+HCOO]- 257.10623 169.2
[M+CH3COO]- 271.12188 196.9
[M+Na-2H]- 233.08270 151.5
[M]+ 212.10748 150.5
[M]- 212.10858 150.5
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.