CID 121705

1-(4-methoxyphenyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C11H13NO2
SMILES
COC1=CC=C(C=C1)N2CCCC2=O
InChI
InChI=1S/C11H13NO2/c1-14-10-6-4-9(5-7-10)12-8-2-3-11(12)13/h4-7H,2-3,8H2,1H3
InChIKey
IDJCCRRYIMWLSQ-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

353
Patents

191.09464 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 140.1
[M+Na]+ 214.083858 148.0
[M-H]- 190.087364 145.6
[M+NH4]+ 209.128463 160.1
[M+K]+ 230.057798 145.8
[M+H-H2O]+ 174.091900 133.1
[M+HCOO]- 236.092841 162.8
[M+CH3COO]- 250.108491 181.7
[M+Na-2H]- 212.069306 143.9
[M]+ 191.09409142 139.5
[M]- 191.09518858 139.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe