CID 154776022

2298245-03-9

Structural Information

Molecular Formula
C11H19F2NO3
SMILES
CC(C)(C)OC(=O)NCC1(CC(C1)(F)F)CO
InChI
InChI=1S/C11H19F2NO3/c1-9(2,3)17-8(16)14-6-10(7-15)4-11(12,13)5-10/h15H,4-7H2,1-3H3,(H,14,16)
InChIKey
SSMPHXLXQCWORT-UHFFFAOYSA-N
Compound name
tert-butyl N-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.1333 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.14058 165.1
[M+Na]+ 274.12252 166.4
[M+NH4]+ 269.16712 168.1
[M+K]+ 290.09646 161.4
[M-H]- 250.12602 158.5
[M+Na-2H]- 272.10797 165.7
[M]+ 251.13275 162.1
[M]- 251.13385 162.1
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.