CID 45792045

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

Structural Information

Molecular Formula
C10H11F3N2O2
SMILES
C1=CC=NC(=C1)CCNC(=O)OCC(F)(F)F
InChI
InChI=1S/C10H11F3N2O2/c11-10(12,13)7-17-9(16)15-6-4-8-3-1-2-5-14-8/h1-3,5H,4,6-7H2,(H,15,16)
InChIKey
QUNHSNJLVYMMJV-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl N-(2-pyridin-2-ylethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.07726 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.08454 150.9
[M+Na]+ 271.06648 157.8
[M-H]- 247.06998 149.0
[M+NH4]+ 266.11108 166.4
[M+K]+ 287.04042 155.4
[M+H-H2O]+ 231.07452 141.1
[M+HCOO]- 293.07546 169.8
[M+CH3COO]- 307.09111 192.4
[M+Na-2H]- 269.05193 156.7
[M]+ 248.07671 148.2
[M]- 248.07781 148.2
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.