CID 5002631

2-(4-ethoxyphenyl)pyrrolidine

Structural Information

Molecular Formula
C12H17NO
SMILES
CCOC1=CC=C(C=C1)C2CCCN2
InChI
InChI=1S/C12H17NO/c1-2-14-11-7-5-10(6-8-11)12-4-3-9-13-12/h5-8,12-13H,2-4,9H2,1H3
InChIKey
PAFDTMCQTGTHTN-UHFFFAOYSA-N
Compound name
2-(4-ethoxyphenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

191.13101 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 143.6
[M+Na]+ 214.12023 149.4
[M-H]- 190.12373 147.0
[M+NH4]+ 209.16483 162.7
[M+K]+ 230.09417 146.1
[M+H-H2O]+ 174.12827 136.4
[M+HCOO]- 236.12921 164.0
[M+CH3COO]- 250.14486 179.8
[M+Na-2H]- 212.10568 147.0
[M]+ 191.13046 140.3
[M]- 191.13156 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

patents stripe