CID 22248400

614730-97-1

Structural Information

Molecular Formula
C11H20FNO3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CO)F
InChI
InChI=1S/C11H20FNO3/c1-10(2,3)16-9(15)13-6-4-11(12,8-14)5-7-13/h14H,4-8H2,1-3H3
InChIKey
BWZOULIMVKCGII-UHFFFAOYSA-N
Compound name
tert-butyl 4-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

560
Patents

233.14272 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.15000 153.5
[M+Na]+ 256.13194 159.1
[M-H]- 232.13544 152.5
[M+NH4]+ 251.17654 171.6
[M+K]+ 272.10588 158.3
[M+H-H2O]+ 216.13998 147.7
[M+HCOO]- 278.14092 167.6
[M+CH3COO]- 292.15657 186.3
[M+Na-2H]- 254.11739 157.0
[M]+ 233.14217 150.4
[M]- 233.14327 150.4
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