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 160.3
[M+Na]+ 274.12252 165.3
[M-H]- 250.12602 160.0
[M+NH4]+ 269.16712 174.1
[M+K]+ 290.09646 167.2
[M+H-H2O]+ 234.13056 150.9
[M+HCOO]- 296.13150 176.3
[M+CH3COO]- 310.14715 195.6
[M+Na-2H]- 272.10797 164.0
[M]+ 251.13275 167.3
[M]- 251.13385 167.3
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.