CID 55295924

2-(3-ethoxyphenyl)pyrrolidine

Structural Information

Molecular Formula
C12H17NO
SMILES
CCOC1=CC=CC(=C1)C2CCCN2
InChI
InChI=1S/C12H17NO/c1-2-14-11-6-3-5-10(9-11)12-7-4-8-13-12/h3,5-6,9,12-13H,2,4,7-8H2,1H3
InChIKey
HNYGYQBIQKKPLG-UHFFFAOYSA-N
Compound name
2-(3-ethoxyphenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.138286 143.6
[M+Na]+ 214.120228 149.4
[M-H]- 190.123734 147.0
[M+NH4]+ 209.164833 162.7
[M+K]+ 230.094168 146.1
[M+H-H2O]+ 174.128270 136.4
[M+HCOO]- 236.129211 164.0
[M+CH3COO]- 250.144861 179.8
[M+Na-2H]- 212.105676 147.0
[M]+ 191.13046142 140.3
[M]- 191.13155858 140.3
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

No patent data available for this compound.