CID 49759206

884512-51-0

Structural Information

Molecular Formula
C12H18F3NO3
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)C(=O)C(F)(F)F
InChI
InChI=1S/C12H18F3NO3/c1-11(2,3)19-10(18)16-6-4-5-8(7-16)9(17)12(13,14)15/h8H,4-7H2,1-3H3
InChIKey
WUIDPMIFPWKNKG-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

281.12387 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13115 160.8
[M+Na]+ 304.11309 166.2
[M-H]- 280.11659 158.4
[M+NH4]+ 299.15769 175.4
[M+K]+ 320.08703 165.1
[M+H-H2O]+ 264.12113 152.6
[M+HCOO]- 326.12207 171.6
[M+CH3COO]- 340.13772 197.6
[M+Na-2H]- 302.09854 161.8
[M]+ 281.12332 155.3
[M]- 281.12442 155.3
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