CID 63328111

2,2,2-trifluoroethyl n-(4-methylpyridin-3-yl)carbamate

Structural Information

Molecular Formula
C9H9F3N2O2
SMILES
CC1=C(C=NC=C1)NC(=O)OCC(F)(F)F
InChI
InChI=1S/C9H9F3N2O2/c1-6-2-3-13-4-7(6)14-8(15)16-5-9(10,11)12/h2-4H,5H2,1H3,(H,14,15)
InChIKey
JUGZLJLXDABJQC-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl N-(4-methyl-3-pyridinyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.06161 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.068886 146.2
[M+Na]+ 257.050828 154.4
[M-H]- 233.054334 144.8
[M+NH4]+ 252.095433 162.6
[M+K]+ 273.024768 152.3
[M+H-H2O]+ 217.058870 136.9
[M+HCOO]- 279.059811 165.4
[M+CH3COO]- 293.075461 190.5
[M+Na-2H]- 255.036276 151.8
[M]+ 234.06106142 143.5
[M]- 234.06215858 143.5
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.