CID 49761206

Benzyl 3-fluoro-4-hydroxypiperidine-1-carboxylate

Structural Information

Molecular Formula
C13H16FNO3
SMILES
C1CN(CC(C1O)F)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H16FNO3/c14-11-8-15(7-6-12(11)16)13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12,16H,6-9H2
InChIKey
RKRKELORNFODMN-UHFFFAOYSA-N
Compound name
benzyl 3-fluoro-4-hydroxypiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

253.11142 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11870 158.6
[M+Na]+ 276.10064 169.2
[M+NH4]+ 271.14524 165.1
[M+K]+ 292.07458 163.5
[M-H]- 252.10414 159.3
[M+Na-2H]- 274.08609 163.5
[M]+ 253.11087 159.9
[M]- 253.11197 159.9
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