CID 82291855

Methyl 4-(4-fluorophenyl)piperidine-4-carboxylate hydrochloride

Structural Information

Molecular Formula
C13H16FNO2
SMILES
COC(=O)C1(CCNCC1)C2=CC=C(C=C2)F
InChI
InChI=1S/C13H16FNO2/c1-17-12(16)13(6-8-15-9-7-13)10-2-4-11(14)5-3-10/h2-5,15H,6-9H2,1H3
InChIKey
OYSLQGOQDBFBCZ-UHFFFAOYSA-N
Compound name
methyl 4-(4-fluorophenyl)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

237.1165 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.123776 153.7
[M+Na]+ 260.105718 159.2
[M-H]- 236.109224 155.7
[M+NH4]+ 255.150323 170.8
[M+K]+ 276.079658 155.9
[M+H-H2O]+ 220.113760 145.5
[M+HCOO]- 282.114701 169.9
[M+CH3COO]- 296.130351 186.9
[M+Na-2H]- 258.091166 157.3
[M]+ 237.11595142 147.8
[M]- 237.11704858 147.8
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