CID 56828972

1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C12H12FNO3
SMILES
CC1=C(C=CC(=C1)N2CC(CC2=O)C(=O)O)F
InChI
InChI=1S/C12H12FNO3/c1-7-4-9(2-3-10(7)13)14-6-8(12(16)17)5-11(14)15/h2-4,8H,5-6H2,1H3,(H,16,17)
InChIKey
UTSIKWMYNNYFSX-UHFFFAOYSA-N
Compound name
1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

237.08012 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08740 153.7
[M+Na]+ 260.06934 164.1
[M+NH4]+ 255.11394 159.7
[M+K]+ 276.04328 161.1
[M-H]- 236.07284 153.5
[M+Na-2H]- 258.05479 157.3
[M]+ 237.07957 154.7
[M]- 237.08067 154.7
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