CID 124461752

2089246-03-5

Structural Information

Molecular Formula
C13H14FNO4
SMILES
C1[C@H](CN([C@H]1C(=O)O)C(=O)OCC2=CC=CC=C2)F
InChI
InChI=1S/C13H14FNO4/c14-10-6-11(12(16)17)15(7-10)13(18)19-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,16,17)/t10-,11-/m1/s1
InChIKey
CORSVESTDJTBDT-GHMZBOCLSA-N
Compound name
(2R,4R)-4-fluoro-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

267.0907 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09798 157.8
[M+Na]+ 290.07992 164.0
[M-H]- 266.08342 160.4
[M+NH4]+ 285.12452 173.7
[M+K]+ 306.05386 161.6
[M+H-H2O]+ 250.08796 149.7
[M+HCOO]- 312.08890 175.8
[M+CH3COO]- 326.10455 191.7
[M+Na-2H]- 288.06537 157.3
[M]+ 267.09015 155.8
[M]- 267.09125 155.8
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