CID 165622065

Tert-butyl 4-(2,2-difluoroacetyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C12H19F2NO3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(=O)C(F)F
InChI
InChI=1S/C12H19F2NO3/c1-12(2,3)18-11(17)15-6-4-8(5-7-15)9(16)10(13)14/h8,10H,4-7H2,1-3H3
InChIKey
KUMONDDHMBAOJQ-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2,2-difluoroacetyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1333 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.14058 158.4
[M+Na]+ 286.12252 162.9
[M-H]- 262.12602 157.0
[M+NH4]+ 281.16712 173.5
[M+K]+ 302.09646 162.3
[M+H-H2O]+ 246.13056 150.5
[M+HCOO]- 308.13150 170.8
[M+CH3COO]- 322.14715 196.0
[M+Na-2H]- 284.10797 157.6
[M]+ 263.13275 154.0
[M]- 263.13385 154.0
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.