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]+ 286.126076 167.4
[M+Na]+ 308.108018 172.1
[M-H]- 284.111524 164.5
[M+NH4]+ 303.152623 179.0
[M+K]+ 324.081958 173.9
[M+H-H2O]+ 268.116060 157.8
[M+HCOO]- 330.117001 179.3
[M+CH3COO]- 344.132651 197.9
[M+Na-2H]- 306.093466 171.1
[M]+ 285.11825142 172.0
[M]- 285.11934858 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.