CID 50987791

2,2,2-trifluoroethyl n-[2-(2-methylpiperidin-1-yl)ethyl]carbamate

Structural Information

Molecular Formula
C11H19F3N2O2
SMILES
CC1CCCCN1CCNC(=O)OCC(F)(F)F
InChI
InChI=1S/C11H19F3N2O2/c1-9-4-2-3-6-16(9)7-5-15-10(17)18-8-11(12,13)14/h9H,2-8H2,1H3,(H,15,17)
InChIKey
GYMHSESFPTUKCF-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl N-[2-(2-methylpiperidin-1-yl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.13986 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.14714 160.5
[M+Na]+ 291.12908 164.7
[M-H]- 267.13258 157.5
[M+NH4]+ 286.17368 175.1
[M+K]+ 307.10302 162.9
[M+H-H2O]+ 251.13712 150.9
[M+HCOO]- 313.13806 174.6
[M+CH3COO]- 327.15371 197.7
[M+Na-2H]- 289.11453 162.0
[M]+ 268.13931 154.1
[M]- 268.14041 154.1
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.