CID 40097458

2,2,2-trifluoroethyl n-(propan-2-yl)carbamate

Structural Information

Molecular Formula

C₆H₁₀F₃NO₂

SMILES

CC(C)NC(=O)OCC(F)(F)F

InChI

InChI=1S/C6H10F3NO2/c1-4(2)10-5(11)12-3-6(7,8)9/h4H,3H2,1-2H3,(H,10,11)

InChIKey

TZJZNKOMAYWGLJ-UHFFFAOYSA-N

Compound name

2,2,2-trifluoroethyl N-propan-2-ylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 185.06636 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	186.07364	141.7
[M+Na]+	208.05558	147.0
[M+NH4]+	203.10018	145.8
[M+K]+	224.02952	144.2
[M-H]-	184.05908	135.7
[M+Na-2H]-	206.04103	142.1
[M]+	185.06581	140.1
[M]-	185.06691	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe