CID 137935213

2253638-97-8

Structural Information

Molecular Formula
C12H18F3NO4
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)(C(=O)O)C(F)(F)F
InChI
InChI=1S/C12H18F3NO4/c1-10(2,3)20-9(19)16-6-4-5-11(7-16,8(17)18)12(13,14)15/h4-7H2,1-3H3,(H,17,18)
InChIKey
FIJSWJREJOOPEA-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

297.1188 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12608 163.1
[M+Na]+ 320.10802 168.8
[M-H]- 296.11152 159.6
[M+NH4]+ 315.15262 178.3
[M+K]+ 336.08196 168.0
[M+H-H2O]+ 280.11606 156.2
[M+HCOO]- 342.11700 172.6
[M+CH3COO]- 356.13265 196.8
[M+Na-2H]- 318.09347 165.3
[M]+ 297.11825 157.5
[M]- 297.11935 157.5
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