CID 15228012

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

Structural Information

Molecular Formula
C7H12F3NO2
SMILES
CC(C)CNC(=O)OCC(F)(F)F
InChI
InChI=1S/C7H12F3NO2/c1-5(2)3-11-6(12)13-4-7(8,9)10/h5H,3-4H2,1-2H3,(H,11,12)
InChIKey
PZLUNMLQLSXQAF-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl N-(2-methylpropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.08202 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.089296 140.3
[M+Na]+ 222.071238 146.8
[M-H]- 198.074744 136.6
[M+NH4]+ 217.115843 159.3
[M+K]+ 238.045178 146.6
[M+H-H2O]+ 182.079280 132.9
[M+HCOO]- 244.080221 158.8
[M+CH3COO]- 258.095871 186.3
[M+Na-2H]- 220.056686 143.4
[M]+ 199.08147142 137.5
[M]- 199.08256858 137.5
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.