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-methylpyridin-3-yl)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]+ 235.06889 146.2
[M+Na]+ 257.05083 154.4
[M-H]- 233.05433 144.8
[M+NH4]+ 252.09543 162.6
[M+K]+ 273.02477 152.3
[M+H-H2O]+ 217.05887 136.9
[M+HCOO]- 279.05981 165.4
[M+CH3COO]- 293.07546 190.5
[M+Na-2H]- 255.03628 151.8
[M]+ 234.06106 143.5
[M]- 234.06216 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.