CID 105462669

4-(3-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C11H12FNO2
SMILES
C1C(=O)NCC1(CO)C2=CC(=CC=C2)F
InChI
InChI=1S/C11H12FNO2/c12-9-3-1-2-8(4-9)11(7-14)5-10(15)13-6-11/h1-4,14H,5-7H2,(H,13,15)
InChIKey
ANATXLHNPHKWLU-UHFFFAOYSA-N
Compound name
4-(3-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.0852 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.092476 143.6
[M+Na]+ 232.074418 151.6
[M-H]- 208.077924 145.3
[M+NH4]+ 227.119023 163.4
[M+K]+ 248.048358 147.3
[M+H-H2O]+ 192.082460 136.8
[M+HCOO]- 254.083401 162.2
[M+CH3COO]- 268.099051 178.8
[M+Na-2H]- 230.059866 147.0
[M]+ 209.08465142 138.5
[M]- 209.08574858 138.5
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.