CID 46864108

Tert-butyl n-(3,3,3-trifluoro-2-hydroxypropyl)carbamate

Structural Information

Molecular Formula
C8H14F3NO3
SMILES
CC(C)(C)OC(=O)NCC(C(F)(F)F)O
InChI
InChI=1S/C8H14F3NO3/c1-7(2,3)15-6(14)12-4-5(13)8(9,10)11/h5,13H,4H2,1-3H3,(H,12,14)
InChIKey
NCSJLZBMIHPPLI-UHFFFAOYSA-N
Compound name
tert-butyl N-(3,3,3-trifluoro-2-hydroxypropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

229.09258 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09986 147.1
[M+Na]+ 252.08180 153.2
[M-H]- 228.08530 142.2
[M+NH4]+ 247.12640 164.3
[M+K]+ 268.05574 153.0
[M+H-H2O]+ 212.08984 140.4
[M+HCOO]- 274.09078 162.5
[M+CH3COO]- 288.10643 188.5
[M+Na-2H]- 250.06725 150.3
[M]+ 229.09203 143.6
[M]- 229.09313 143.6
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