CID 71076496

1-(2-fluorophenyl)pyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C11H12FNO2
SMILES
C1CN(CC1C(=O)O)C2=CC=CC=C2F
InChI
InChI=1S/C11H12FNO2/c12-9-3-1-2-4-10(9)13-6-5-8(7-13)11(14)15/h1-4,8H,5-7H2,(H,14,15)
InChIKey
VTLGIJLOAQEHFV-UHFFFAOYSA-N
Compound name
1-(2-fluorophenyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

209.0852 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.092476 143.6
[M+Na]+ 232.074418 150.8
[M-H]- 208.077924 146.4
[M+NH4]+ 227.119023 162.1
[M+K]+ 248.048358 147.7
[M+H-H2O]+ 192.082460 136.0
[M+HCOO]- 254.083401 162.7
[M+CH3COO]- 268.099051 182.6
[M+Na-2H]- 230.059866 145.1
[M]+ 209.08465142 139.5
[M]- 209.08574858 139.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe