CID 155822159

2551116-86-8

Structural Information

Molecular Formula
C10H17F2NO4
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C(CO)(F)F)O
InChI
InChI=1S/C10H17F2NO4/c1-8(2,3)17-7(15)13-4-9(16,5-13)10(11,12)6-14/h14,16H,4-6H2,1-3H3
InChIKey
GSQUEWHZJAZKTP-UHFFFAOYSA-N
Compound name
tert-butyl 3-(1,1-difluoro-2-hydroxyethyl)-3-hydroxyazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.11256 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11984 159.1
[M+Na]+ 276.10178 164.3
[M-H]- 252.10528 156.1
[M+NH4]+ 271.14638 169.1
[M+K]+ 292.07572 166.4
[M+H-H2O]+ 236.10982 148.7
[M+HCOO]- 298.11076 170.4
[M+CH3COO]- 312.12641 190.8
[M+Na-2H]- 274.08723 162.4
[M]+ 253.11201 165.6
[M]- 253.11311 165.6
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

No patent data available for this compound.