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

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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 169.9
[M+Na]+ 299.20937 179.5
[M+NH4]+ 294.25397 177.8
[M+K]+ 315.18331 174.5
[M-H]- 275.21287 173.5
[M+Na-2H]- 297.19482 175.5
[M]+ 276.21960 172.1
[M]- 276.22070 172.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.