CID 146049289

2411265-04-6

Structural Information

Molecular Formula
C14H18FNO2
SMILES
CN1CCC(CC1)(C2=CC=C(C=C2)C(=O)OC)F
InChI
InChI=1S/C14H18FNO2/c1-16-9-7-14(15,8-10-16)12-5-3-11(4-6-12)13(17)18-2/h3-6H,7-10H2,1-2H3
InChIKey
STKKTYFHEBORQC-UHFFFAOYSA-N
Compound name
methyl 4-(4-fluoro-1-methylpiperidin-4-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.13216 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.13944 159.4
[M+Na]+ 274.12138 171.0
[M+NH4]+ 269.16598 168.2
[M+K]+ 290.09532 162.6
[M-H]- 250.12488 161.2
[M+Na-2H]- 272.10683 166.8
[M]+ 251.13161 161.6
[M]- 251.13271 161.6
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.