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]+ 249.19614 161.1
[M+Na]+ 271.17808 164.8
[M-H]- 247.18158 164.9
[M+NH4]+ 266.22268 177.8
[M+K]+ 287.15202 161.7
[M+H-H2O]+ 231.18612 152.7
[M+HCOO]- 293.18706 181.3
[M+CH3COO]- 307.20271 196.4
[M+Na-2H]- 269.16353 161.5
[M]+ 248.18831 158.4
[M]- 248.18941 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