CID 154577398

2418643-83-9

Structural Information

Molecular Formula
C11H18F3NO4
SMILES
CC(C)(C)OC(=O)NC1(CC(C1)(C(F)(F)F)O)CO
InChI
InChI=1S/C11H18F3NO4/c1-8(2,3)19-7(17)15-9(6-16)4-10(18,5-9)11(12,13)14/h16,18H,4-6H2,1-3H3,(H,15,17)
InChIKey
DABJVFIWSDHCGK-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-hydroxy-1-(hydroxymethyl)-3-(trifluoromethyl)cyclobutyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1188 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12608 167.4
[M+Na]+ 308.10802 172.1
[M-H]- 284.11152 164.5
[M+NH4]+ 303.15262 179.0
[M+K]+ 324.08196 173.9
[M+H-H2O]+ 268.11606 157.8
[M+HCOO]- 330.11700 179.3
[M+CH3COO]- 344.13265 197.9
[M+Na-2H]- 306.09347 171.1
[M]+ 285.11825 172.0
[M]- 285.11935 172.0
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

No patent data available for this compound.