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]+ 277.22743 170.2
[M+Na]+ 299.20937 173.1
[M-H]- 275.21287 175.6
[M+NH4]+ 294.25397 186.7
[M+K]+ 315.18331 171.4
[M+H-H2O]+ 259.21741 161.3
[M+HCOO]- 321.21835 190.9
[M+CH3COO]- 335.23400 206.5
[M+Na-2H]- 297.19482 169.8
[M]+ 276.21960 170.5
[M]- 276.22070 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