CID 57415845

1-(tert-butoxycarbonyl)-3,3-difluoro-4,4-dihydroxypiperidine

Structural Information

Molecular Formula
C10H17F2NO4
SMILES
CC(C)(C)OC(=O)N1CCC(C(C1)(F)F)(O)O
InChI
InChI=1S/C10H17F2NO4/c1-8(2,3)17-7(14)13-5-4-10(15,16)9(11,12)6-13/h15-16H,4-6H2,1-3H3
InChIKey
WQBMVRTXKYXMKT-UHFFFAOYSA-N
Compound name
tert-butyl 3,3-difluoro-4,4-dihydroxypiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

253.11256 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11984 152.8
[M+Na]+ 276.10178 160.3
[M-H]- 252.10528 150.0
[M+NH4]+ 271.14638 171.6
[M+K]+ 292.07572 159.4
[M+H-H2O]+ 236.10982 147.9
[M+HCOO]- 298.11076 164.9
[M+CH3COO]- 312.12641 186.7
[M+Na-2H]- 274.08723 156.9
[M]+ 253.11201 148.7
[M]- 253.11311 148.7
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