CID 199598

4503-34-8

Structural Information

Molecular Formula
C12H13NO3
SMILES
COC1=CC=CC=C1C(=O)N2CCCC2=O
InChI
InChI=1S/C12H13NO3/c1-16-10-6-3-2-5-9(10)12(15)13-8-4-7-11(13)14/h2-3,5-6H,4,7-8H2,1H3
InChIKey
CUFYYZZSHNVFBE-UHFFFAOYSA-N
Compound name
1-(2-methoxybenzoyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.08954 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09682 147.0
[M+Na]+ 242.07876 154.3
[M-H]- 218.08226 152.4
[M+NH4]+ 237.12336 165.7
[M+K]+ 258.05270 152.4
[M+H-H2O]+ 202.08680 139.8
[M+HCOO]- 264.08774 168.7
[M+CH3COO]- 278.10339 186.1
[M+Na-2H]- 240.06421 149.1
[M]+ 219.08899 146.8
[M]- 219.09009 146.8
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.