CID 3079528

N,alpha-dimethyl-4-(3-(dimethylamino)propoxy)benzeneethanamine dihydrochloride

Structural Information

Molecular Formula
C15H26N2O
SMILES
CC(CC1=CC=C(C=C1)OCCCN(C)C)NC
InChI
InChI=1S/C15H26N2O/c1-13(16-2)12-14-6-8-15(9-7-14)18-11-5-10-17(3)4/h6-9,13,16H,5,10-12H2,1-4H3
InChIKey
BHINADVDXKAGMD-UHFFFAOYSA-N
Compound name
1-[4-[3-(dimethylamino)propoxy]phenyl]-N-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.20451 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.21179 163.6
[M+Na]+ 273.19373 167.4
[M-H]- 249.19723 167.7
[M+NH4]+ 268.23833 180.9
[M+K]+ 289.16767 166.4
[M+H-H2O]+ 233.20177 155.8
[M+HCOO]- 295.20271 187.8
[M+CH3COO]- 309.21836 206.7
[M+Na-2H]- 271.17918 166.3
[M]+ 250.20396 166.5
[M]- 250.20506 166.5
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