CID 45792048

2,2,2-trifluoroethyl n-(2-methoxyethyl)carbamate

Structural Information

Molecular Formula
C6H10F3NO3
SMILES
COCCNC(=O)OCC(F)(F)F
InChI
InChI=1S/C6H10F3NO3/c1-12-3-2-10-5(11)13-4-6(7,8)9/h2-4H2,1H3,(H,10,11)
InChIKey
WJYWLIYZVZAXMJ-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl N-(2-methoxyethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

201.06128 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.06856 138.1
[M+Na]+ 224.05050 145.1
[M-H]- 200.05400 134.4
[M+NH4]+ 219.09510 157.0
[M+K]+ 240.02444 145.2
[M+H-H2O]+ 184.05854 130.5
[M+HCOO]- 246.05948 158.1
[M+CH3COO]- 260.07513 184.4
[M+Na-2H]- 222.03595 143.1
[M]+ 201.06073 137.0
[M]- 201.06183 137.0
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

patents stripe