CID 131308267

Methyl 3-(4-fluorophenyl)pyrrolidine-3-carboxylate hydrochloride

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 148.6
[M+Na]+ 246.09008 155.5
[M-H]- 222.09358 151.3
[M+NH4]+ 241.13468 168.3
[M+K]+ 262.06402 152.4
[M+H-H2O]+ 206.09812 141.3
[M+HCOO]- 268.09906 167.5
[M+CH3COO]- 282.11471 183.4
[M+Na-2H]- 244.07553 151.4
[M]+ 223.10031 144.7
[M]- 223.10141 144.7
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

No patent data available for this compound.