CID 51387021

2287238-50-8

Structural Information

Molecular Formula
C12H14FNO2
SMILES
COC(=O)[C@@H]1CNC[C@H]1C2=CC=C(C=C2)F
InChI
InChI=1S/C12H14FNO2/c1-16-12(15)11-7-14-6-10(11)8-2-4-9(13)5-3-8/h2-5,10-11,14H,6-7H2,1H3/t10-,11+/m0/s1
InChIKey
REBCUOWHHZXWGJ-WDEREUQCSA-N
Compound name
methyl (3S,4R)-4-(4-fluorophenyl)pyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

223.10086 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10814 151.5
[M+Na]+ 246.09008 161.7
[M+NH4]+ 241.13468 158.5
[M+K]+ 262.06402 157.8
[M-H]- 222.09358 152.0
[M+Na-2H]- 244.07553 156.1
[M]+ 223.10031 152.7
[M]- 223.10141 152.7
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