CID 4125295

116344-62-8

Structural Information

Molecular Formula
C12H12FNO3
SMILES
C1CC(=O)N(C1C(=O)O)CC2=CC(=CC=C2)F
InChI
InChI=1S/C12H12FNO3/c13-9-3-1-2-8(6-9)7-14-10(12(16)17)4-5-11(14)15/h1-3,6,10H,4-5,7H2,(H,16,17)
InChIKey
BYBOQLGVEVRAFQ-UHFFFAOYSA-N
Compound name
1-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
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 149.6
[M+Na]+ 260.06934 157.4
[M-H]- 236.07284 152.6
[M+NH4]+ 255.11394 167.0
[M+K]+ 276.04328 154.1
[M+H-H2O]+ 220.07738 142.0
[M+HCOO]- 282.07832 168.7
[M+CH3COO]- 296.09397 188.1
[M+Na-2H]- 258.05479 150.0
[M]+ 237.07957 146.9
[M]- 237.08067 146.9
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