CID 20116387

1-(9h-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C18H15NO3
SMILES
C1C(CN(C1=O)C2=CC3=C(C=C2)C4=CC=CC=C4C3)C(=O)O
InChI
InChI=1S/C18H15NO3/c20-17-9-13(18(21)22)10-19(17)14-5-6-16-12(8-14)7-11-3-1-2-4-15(11)16/h1-6,8,13H,7,9-10H2,(H,21,22)
InChIKey
HMPIZBBMBPLROU-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1052 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.112476 167.1
[M+Na]+ 316.094418 175.5
[M-H]- 292.097924 173.7
[M+NH4]+ 311.139023 186.0
[M+K]+ 332.068358 170.3
[M+H-H2O]+ 276.102460 160.7
[M+HCOO]- 338.103401 185.5
[M+CH3COO]- 352.119051 178.8
[M+Na-2H]- 314.079866 167.1
[M]+ 293.10465142 166.5
[M]- 293.10574858 166.5
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.