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]+ 269.147136 160.5
[M+Na]+ 291.129078 164.7
[M-H]- 267.132584 157.5
[M+NH4]+ 286.173683 175.1
[M+K]+ 307.103018 162.9
[M+H-H2O]+ 251.137120 150.9
[M+HCOO]- 313.138061 174.6
[M+CH3COO]- 327.153711 197.7
[M+Na-2H]- 289.114526 162.0
[M]+ 268.13931142 154.1
[M]- 268.14040858 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.