CID 129980610

Tert-butyl 4,4-difluoro-3-formylpiperidine-1-carboxylate

Structural Information

Molecular Formula
C11H17F2NO3
SMILES
CC(C)(C)OC(=O)N1CCC(C(C1)C=O)(F)F
InChI
InChI=1S/C11H17F2NO3/c1-10(2,3)17-9(16)14-5-4-11(12,13)8(6-14)7-15/h7-8H,4-6H2,1-3H3
InChIKey
BYAGFJSHNKNYTR-UHFFFAOYSA-N
Compound name
tert-butyl 4,4-difluoro-3-formylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.11765 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.12493 152.9
[M+Na]+ 272.10687 160.2
[M-H]- 248.11037 152.3
[M+NH4]+ 267.15147 171.2
[M+K]+ 288.08081 159.2
[M+H-H2O]+ 232.11491 146.2
[M+HCOO]- 294.11585 167.6
[M+CH3COO]- 308.13150 191.9
[M+Na-2H]- 270.09232 155.8
[M]+ 249.11710 150.2
[M]- 249.11820 150.2
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.