CID 53302308

Tert-butyl 4-(1-fluoro-2-hydroxyethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C12H22FNO3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(CO)F
InChI
InChI=1S/C12H22FNO3/c1-12(2,3)17-11(16)14-6-4-9(5-7-14)10(13)8-15/h9-10,15H,4-8H2,1-3H3
InChIKey
QGEYVOBSVRXLBI-UHFFFAOYSA-N
Compound name
tert-butyl 4-(1-fluoro-2-hydroxyethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

247.15837 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16565 158.5
[M+Na]+ 270.14759 162.5
[M-H]- 246.15109 157.1
[M+NH4]+ 265.19219 173.9
[M+K]+ 286.12153 161.6
[M+H-H2O]+ 230.15563 151.6
[M+HCOO]- 292.15657 171.3
[M+CH3COO]- 306.17222 190.7
[M+Na-2H]- 268.13304 158.9
[M]+ 247.15782 154.8
[M]- 247.15892 154.8
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