CID 303112

Pyrrolidine, 1-((2-methoxyphenoxy)acetyl)-

Structural Information

Molecular Formula
C13H17NO3
SMILES
COC1=CC=CC=C1OCC(=O)N2CCCC2
InChI
InChI=1S/C13H17NO3/c1-16-11-6-2-3-7-12(11)17-10-13(15)14-8-4-5-9-14/h2-3,6-7H,4-5,8-10H2,1H3
InChIKey
OBKFXBIFSIWADJ-UHFFFAOYSA-N
Compound name
2-(2-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]+ 236.12813 153.3
[M+Na]+ 258.11007 158.9
[M-H]- 234.11357 158.1
[M+NH4]+ 253.15467 171.1
[M+K]+ 274.08401 157.3
[M+H-H2O]+ 218.11811 145.5
[M+HCOO]- 280.11905 174.4
[M+CH3COO]- 294.13470 188.8
[M+Na-2H]- 256.09552 155.4
[M]+ 235.12030 153.7
[M]- 235.12140 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

No patent data available for this compound.