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]+ 265.227426 168.5
[M+Na]+ 287.209368 172.0
[M-H]- 263.212874 173.9
[M+NH4]+ 282.253973 185.9
[M+K]+ 303.183308 172.2
[M+H-H2O]+ 247.217410 160.4
[M+HCOO]- 309.218351 192.9
[M+CH3COO]- 323.234001 213.2
[M+Na-2H]- 285.194816 169.8
[M]+ 264.21960142 173.1
[M]- 264.22069858 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