CID 71305699

Tert-butyl 8,8-difluoro-1-(hydroxymethyl)-3-azabicyclo[3.2.1]octane-3-carboxylate

Structural Information

Molecular Formula
C13H21F2NO3
SMILES
CC(C)(C)OC(=O)N1CC2CCC(C1)(C2(F)F)CO
InChI
InChI=1S/C13H21F2NO3/c1-11(2,3)19-10(18)16-6-9-4-5-12(7-16,8-17)13(9,14)15/h9,17H,4-8H2,1-3H3
InChIKey
YRAMMFIWBVNNFQ-UHFFFAOYSA-N
Compound name
tert-butyl 8,8-difluoro-1-(hydroxymethyl)-3-azabicyclo[3.2.1]octane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.14896 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.15624 163.7
[M+Na]+ 300.13818 171.0
[M-H]- 276.14168 161.0
[M+NH4]+ 295.18278 185.5
[M+K]+ 316.11212 168.7
[M+H-H2O]+ 260.14622 158.5
[M+HCOO]- 322.14716 174.7
[M+CH3COO]- 336.16281 195.0
[M+Na-2H]- 298.12363 167.1
[M]+ 277.14841 161.0
[M]- 277.14951 161.0
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.