CID 146049289

Methyl 4-(4-fluoro-1-methylpiperidin-4-yl)benzoate

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 156.8
[M+Na]+ 274.12138 163.2
[M-H]- 250.12488 160.4
[M+NH4]+ 269.16598 174.4
[M+K]+ 290.09532 160.7
[M+H-H2O]+ 234.12942 148.4
[M+HCOO]- 296.13036 174.2
[M+CH3COO]- 310.14601 193.6
[M+Na-2H]- 272.10683 159.8
[M]+ 251.13161 153.6
[M]- 251.13271 153.6
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.