CID 121604476

2108676-11-3

Structural Information

Molecular Formula
C14H15F2NO4
SMILES
C1[C@H]([C@@H](CN1C(=O)OCC2=CC=CC=C2)C(=O)O)C(F)F
InChI
InChI=1S/C14H15F2NO4/c15-12(16)10-6-17(7-11(10)13(18)19)14(20)21-8-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2,(H,18,19)/t10-,11-/m1/s1
InChIKey
GNPZPRAMGBOIEV-GHMZBOCLSA-N
Compound name
(3S,4S)-4-(difluoromethyl)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

299.09692 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.10420 169.6
[M+Na]+ 322.08614 176.4
[M+NH4]+ 317.13074 173.5
[M+K]+ 338.06008 174.8
[M-H]- 298.08964 166.7
[M+Na-2H]- 320.07159 171.1
[M]+ 299.09637 169.0
[M]- 299.09747 169.0
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