CID 3079526

4-(3-(dimethylamino)propoxy)-alpha-methylbenzeneethanamine dihydrochloride

Structural Information

Molecular Formula
C14H24N2O
SMILES
CC(CC1=CC=C(C=C1)OCCCN(C)C)N
InChI
InChI=1S/C14H24N2O/c1-12(15)11-13-5-7-14(8-6-13)17-10-4-9-16(2)3/h5-8,12H,4,9-11,15H2,1-3H3
InChIKey
TXUYXKOMYKUHAX-UHFFFAOYSA-N
Compound name
1-[4-[3-(dimethylamino)propoxy]phenyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.18886 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.196136 159.4
[M+Na]+ 259.178078 163.7
[M-H]- 235.181584 163.2
[M+NH4]+ 254.222683 177.0
[M+K]+ 275.152018 162.5
[M+H-H2O]+ 219.186120 151.9
[M+HCOO]- 281.187061 183.4
[M+CH3COO]- 295.202711 203.0
[M+Na-2H]- 257.163526 161.6
[M]+ 236.18831142 161.0
[M]- 236.18940858 161.0
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

No patent data available for this compound.