CID 132343730

Tert-butyl 4-formyl-4-(trifluoromethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C12H18F3NO3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C=O)C(F)(F)F
InChI
InChI=1S/C12H18F3NO3/c1-10(2,3)19-9(18)16-6-4-11(8-17,5-7-16)12(13,14)15/h8H,4-7H2,1-3H3
InChIKey
XALZKBXGDLKILO-UHFFFAOYSA-N
Compound name
tert-butyl 4-formyl-4-(trifluoromethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.12387 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13115 160.8
[M+Na]+ 304.11309 167.2
[M-H]- 280.11659 158.6
[M+NH4]+ 299.15769 177.5
[M+K]+ 320.08703 166.1
[M+H-H2O]+ 264.12113 153.4
[M+HCOO]- 326.12207 172.5
[M+CH3COO]- 340.13772 196.3
[M+Na-2H]- 302.09854 164.2
[M]+ 281.12332 156.2
[M]- 281.12442 156.2
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.