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

0
Patents

237.1165 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.12378 153.7
[M+Na]+ 260.10572 159.2
[M-H]- 236.10922 155.7
[M+NH4]+ 255.15032 170.8
[M+K]+ 276.07966 155.9
[M+H-H2O]+ 220.11376 145.5
[M+HCOO]- 282.11470 169.9
[M+CH3COO]- 296.13035 186.9
[M+Na-2H]- 258.09117 157.3
[M]+ 237.11595 147.8
[M]- 237.11705 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

No patent data available for this compound.