CID 122236559

Tert-butyl 3,3-difluoropiperidine-4-carboxylate

Structural Information

Molecular Formula
C10H17F2NO2
SMILES
CC(C)(C)OC(=O)C1CCNCC1(F)F
InChI
InChI=1S/C10H17F2NO2/c1-9(2,3)15-8(14)7-4-5-13-6-10(7,11)12/h7,13H,4-6H2,1-3H3
InChIKey
BXYCDALKPLQNNI-UHFFFAOYSA-N
Compound name
tert-butyl 3,3-difluoropiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.12274 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.13002 148.8
[M+Na]+ 244.11196 154.8
[M-H]- 220.11546 146.5
[M+NH4]+ 239.15656 167.2
[M+K]+ 260.08590 153.2
[M+H-H2O]+ 204.12000 142.2
[M+HCOO]- 266.12094 161.8
[M+CH3COO]- 280.13659 184.6
[M+Na-2H]- 242.09741 152.0
[M]+ 221.12219 142.7
[M]- 221.12329 142.7
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

No patent data available for this compound.