CID 3079530

4-(3-(dimethylamino)propoxy)-n,n,alpha-trimethylbenzeneethanamine dihydrochloride

Structural Information

Molecular Formula
C16H28N2O
SMILES
CC(CC1=CC=C(C=C1)OCCCN(C)C)N(C)C
InChI
InChI=1S/C16H28N2O/c1-14(18(4)5)13-15-7-9-16(10-8-15)19-12-6-11-17(2)3/h7-10,14H,6,11-13H2,1-5H3
InChIKey
SPGRKRODFRAMCW-UHFFFAOYSA-N
Compound name
1-[4-[3-(dimethylamino)propoxy]phenyl]-N,N-dimethylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.22015 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.22743 168.5
[M+Na]+ 287.20937 172.0
[M-H]- 263.21287 173.9
[M+NH4]+ 282.25397 185.9
[M+K]+ 303.18331 172.2
[M+H-H2O]+ 247.21741 160.4
[M+HCOO]- 309.21835 192.9
[M+CH3COO]- 323.23400 213.2
[M+Na-2H]- 285.19482 169.8
[M]+ 264.21960 173.1
[M]- 264.22070 173.1
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