CID 3043620

Phenethylamine, alpha,alpha-dimethyl-4-dimethylamino-, dihydrochloride

Structural Information

Molecular Formula
C12H20N2
SMILES
CC(C)(CC1=CC=C(C=C1)N(C)C)N
InChI
InChI=1S/C12H20N2/c1-12(2,13)9-10-5-7-11(8-6-10)14(3)4/h5-8H,9,13H2,1-4H3
InChIKey
SLWRLIARNTYBCX-UHFFFAOYSA-N
Compound name
4-(2-amino-2-methylpropyl)-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

192.16264 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.16992 145.8
[M+Na]+ 215.15186 151.8
[M-H]- 191.15536 150.4
[M+NH4]+ 210.19646 165.6
[M+K]+ 231.12580 150.6
[M+H-H2O]+ 175.15990 139.6
[M+HCOO]- 237.16084 169.7
[M+CH3COO]- 251.17649 194.5
[M+Na-2H]- 213.13731 151.1
[M]+ 192.16209 145.5
[M]- 192.16319 145.5
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

patents stripe