CID 3079537

N,alpha-dimethyl-4-(2-(1-pyrrolidinyl)ethoxy)benzeneethanamine ethanedioate hydrate (2:4:1)

Structural Information

Molecular Formula
C15H24N2O
SMILES
CC(CC1=CC=C(C=C1)OCCN2CCCC2)N
InChI
InChI=1S/C15H24N2O/c1-13(16)12-14-4-6-15(7-5-14)18-11-10-17-8-2-3-9-17/h4-7,13H,2-3,8-12,16H2,1H3
InChIKey
SPXUMWFLJRMCOD-UHFFFAOYSA-N
Compound name
1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.18886 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.196136 161.1
[M+Na]+ 271.178078 164.8
[M-H]- 247.181584 164.9
[M+NH4]+ 266.222683 177.8
[M+K]+ 287.152018 161.7
[M+H-H2O]+ 231.186120 152.7
[M+HCOO]- 293.187061 181.3
[M+CH3COO]- 307.202711 196.4
[M+Na-2H]- 269.163526 161.5
[M]+ 248.18831142 158.4
[M]- 248.18940858 158.4
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