CID 3079539

4-(2-(1-pyrrolidinyl)ethoxy)-n,n,alpha-trimethylbenzeneethanamine dihydrochloride hydrate

Structural Information

Molecular Formula
C17H28N2O
SMILES
CC(CC1=CC=C(C=C1)OCCN2CCCC2)N(C)C
InChI
InChI=1S/C17H28N2O/c1-15(18(2)3)14-16-6-8-17(9-7-16)20-13-12-19-10-4-5-11-19/h6-9,15H,4-5,10-14H2,1-3H3
InChIKey
VBYGMFMNABLBNM-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.22015 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.227426 170.2
[M+Na]+ 299.209368 173.1
[M-H]- 275.212874 175.6
[M+NH4]+ 294.253973 186.7
[M+K]+ 315.183308 171.4
[M+H-H2O]+ 259.217410 161.3
[M+HCOO]- 321.218351 190.9
[M+CH3COO]- 335.234001 206.5
[M+Na-2H]- 297.194816 169.8
[M]+ 276.21960142 170.5
[M]- 276.22069858 170.5
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