CID 84803351

Tert-butyl 4-(fluoromethyl)-4-(hydroxymethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C12H22FNO3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CO)CF
InChI
InChI=1S/C12H22FNO3/c1-11(2,3)17-10(16)14-6-4-12(8-13,9-15)5-7-14/h15H,4-9H2,1-3H3
InChIKey
SDVGDCHMCVTSEA-UHFFFAOYSA-N
Compound name
tert-butyl 4-(fluoromethyl)-4-(hydroxymethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

247.15837 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16565 158.1
[M+Na]+ 270.14759 163.2
[M-H]- 246.15109 156.9
[M+NH4]+ 265.19219 175.6
[M+K]+ 286.12153 162.1
[M+H-H2O]+ 230.15563 152.1
[M+HCOO]- 292.15657 171.8
[M+CH3COO]- 306.17222 189.3
[M+Na-2H]- 268.13304 161.0
[M]+ 247.15782 155.3
[M]- 247.15892 155.3
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

No patent data available for this compound.