CID 303142

Pyrrolidine, 1-((4-methoxyphenoxy)acetyl)-

Structural Information

Molecular Formula
C13H17NO3
SMILES
COC1=CC=C(C=C1)OCC(=O)N2CCCC2
InChI
InChI=1S/C13H17NO3/c1-16-11-4-6-12(7-5-11)17-10-13(15)14-8-2-3-9-14/h4-7H,2-3,8-10H2,1H3
InChIKey
GUCYVPQQEXMWSA-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenoxy)-1-pyrrolidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.12085 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.128126 153.3
[M+Na]+ 258.110068 158.9
[M-H]- 234.113574 158.1
[M+NH4]+ 253.154673 171.1
[M+K]+ 274.084008 157.3
[M+H-H2O]+ 218.118110 145.5
[M+HCOO]- 280.119051 174.4
[M+CH3COO]- 294.134701 188.8
[M+Na-2H]- 256.095516 155.4
[M]+ 235.12030142 153.7
[M]- 235.12139858 153.7
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