CID 60165860

Tert-butyl (3r,4r)-3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C11H20FNO3
SMILES
CC(C)(C)OC(=O)N1CC[C@@H]([C@H](C1)F)CO
InChI
InChI=1S/C11H20FNO3/c1-11(2,3)16-10(15)13-5-4-8(7-14)9(12)6-13/h8-9,14H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKey
UIACYDBUYRFVMD-BDAKNGLRSA-N
Compound name
tert-butyl (3R,4R)-3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

233.14272 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.15000 153.9
[M+Na]+ 256.13194 159.5
[M-H]- 232.13544 152.9
[M+NH4]+ 251.17654 170.2
[M+K]+ 272.10588 158.3
[M+H-H2O]+ 216.13998 147.3
[M+HCOO]- 278.14092 167.9
[M+CH3COO]- 292.15657 188.0
[M+Na-2H]- 254.11739 155.3
[M]+ 233.14217 150.8
[M]- 233.14327 150.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe