CID 2761828

1049740-20-6

Structural Information

Molecular Formula
C12H14FNO2
SMILES
C1C[C@@](NC1)(CC2=CC(=CC=C2)F)C(=O)O
InChI
InChI=1S/C12H14FNO2/c13-10-4-1-3-9(7-10)8-12(11(15)16)5-2-6-14-12/h1,3-4,7,14H,2,5-6,8H2,(H,15,16)/t12-/m1/s1
InChIKey
GVPJGVXMPHPURT-GFCCVEGCSA-N
Compound name
(2R)-2-[(3-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

223.10086 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10814 149.0
[M+Na]+ 246.09008 155.4
[M-H]- 222.09358 150.2
[M+NH4]+ 241.13468 167.9
[M+K]+ 262.06402 151.4
[M+H-H2O]+ 206.09812 141.9
[M+HCOO]- 268.09906 166.3
[M+CH3COO]- 282.11471 181.5
[M+Na-2H]- 244.07553 151.3
[M]+ 223.10031 143.3
[M]- 223.10141 143.3
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