CID 52908156

2,2,2-trifluoroethyl n-(1-acetylpiperidin-4-yl)carbamate

Structural Information

Molecular Formula
C10H15F3N2O3
SMILES
CC(=O)N1CCC(CC1)NC(=O)OCC(F)(F)F
InChI
InChI=1S/C10H15F3N2O3/c1-7(16)15-4-2-8(3-5-15)14-9(17)18-6-10(11,12)13/h8H,2-6H2,1H3,(H,14,17)
InChIKey
FSENGAVELWHZTF-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl N-(1-acetylpiperidin-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1035 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11078 157.1
[M+Na]+ 291.09272 161.8
[M-H]- 267.09622 154.5
[M+NH4]+ 286.13732 171.6
[M+K]+ 307.06666 160.7
[M+H-H2O]+ 251.10076 147.8
[M+HCOO]- 313.10170 171.0
[M+CH3COO]- 327.11735 196.2
[M+Na-2H]- 289.07817 158.2
[M]+ 268.10295 150.5
[M]- 268.10405 150.5
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

No patent data available for this compound.