CID 99787

Pyrrolidine, 1-(beta-ethoxyphenethyl)-

Structural Information

Molecular Formula
C14H21NO
SMILES
CCOC(CN1CCCC1)C2=CC=CC=C2
InChI
InChI=1S/C14H21NO/c1-2-16-14(12-15-10-6-7-11-15)13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12H2,1H3
InChIKey
QGGLZIVESWLVPS-UHFFFAOYSA-N
Compound name
1-(2-ethoxy-2-phenylethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

219.16231 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.169586 153.2
[M+Na]+ 242.151528 157.3
[M-H]- 218.155034 157.3
[M+NH4]+ 237.196133 171.4
[M+K]+ 258.125468 154.9
[M+H-H2O]+ 202.159570 145.1
[M+HCOO]- 264.160511 173.3
[M+CH3COO]- 278.176161 188.2
[M+Na-2H]- 240.136976 155.3
[M]+ 219.16176142 151.4
[M]- 219.16285858 151.4
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