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

125
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 156.4
[M+Na]+ 276.10064 161.8
[M-H]- 252.10414 158.4
[M+NH4]+ 271.14524 171.0
[M+K]+ 292.07458 158.8
[M+H-H2O]+ 236.10868 147.6
[M+HCOO]- 298.10962 172.7
[M+CH3COO]- 312.12527 190.0
[M+Na-2H]- 274.08609 158.3
[M]+ 253.11087 151.9
[M]- 253.11197 151.9
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