CID 131308267

2309446-39-5

Structural Information

Molecular Formula
C12H14FNO2
SMILES
COC(=O)C1(CCNC1)C2=CC=C(C=C2)F
InChI
InChI=1S/C12H14FNO2/c1-16-11(15)12(6-7-14-8-12)9-2-4-10(13)5-3-9/h2-5,14H,6-8H2,1H3
InChIKey
MRSYHSNIQWVKAR-UHFFFAOYSA-N
Compound name
methyl 3-(4-fluorophenyl)pyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.10086 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10814 151.3
[M+Na]+ 246.09008 161.2
[M+NH4]+ 241.13468 159.7
[M+K]+ 262.06402 155.4
[M-H]- 222.09358 151.7
[M+Na-2H]- 244.07553 157.7
[M]+ 223.10031 152.6
[M]- 223.10141 152.6
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

No patent data available for this compound.