CID 155822824

2567502-79-6

Structural Information

Molecular Formula
C10H18F2N2O3
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C(CN)(F)F)O
InChI
InChI=1S/C10H18F2N2O3/c1-8(2,3)17-7(15)14-5-9(16,6-14)10(11,12)4-13/h16H,4-6,13H2,1-3H3
InChIKey
LXVUDUACSMFEJR-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-amino-1,1-difluoroethyl)-3-hydroxyazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.12856 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.13584 161.8
[M+Na]+ 275.11778 166.5
[M-H]- 251.12128 159.5
[M+NH4]+ 270.16238 171.9
[M+K]+ 291.09172 168.6
[M+H-H2O]+ 235.12582 150.5
[M+HCOO]- 297.12676 174.5
[M+CH3COO]- 311.14241 195.5
[M+Na-2H]- 273.10323 164.4
[M]+ 252.12801 166.8
[M]- 252.12911 166.8
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.