CID 65142651

Tert-butyl n-(3,3,3-trifluoropropyl)carbamate

Structural Information

Molecular Formula
C8H14F3NO2
SMILES
CC(C)(C)OC(=O)NCCC(F)(F)F
InChI
InChI=1S/C8H14F3NO2/c1-7(2,3)14-6(13)12-5-4-8(9,10)11/h4-5H2,1-3H3,(H,12,13)
InChIKey
GCJVFCJZMWUURS-UHFFFAOYSA-N
Compound name
tert-butyl N-(3,3,3-trifluoropropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

213.09766 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.10494 144.4
[M+Na]+ 236.08688 151.3
[M-H]- 212.09038 140.9
[M+NH4]+ 231.13148 163.1
[M+K]+ 252.06082 150.9
[M+H-H2O]+ 196.09492 137.5
[M+HCOO]- 258.09586 162.0
[M+CH3COO]- 272.11151 188.2
[M+Na-2H]- 234.07233 149.2
[M]+ 213.09711 142.0
[M]- 213.09821 142.0
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