CID 12970128

275387-85-4

Structural Information

Molecular Formula
C13H21NO3
SMILES
C[C@@H]1[C@H](N(C(O1)(C)C)C(=O)OC(C)(C)C)C#C
InChI
InChI=1S/C13H21NO3/c1-8-10-9(2)16-13(6,7)14(10)11(15)17-12(3,4)5/h1,9-10H,2-7H3/t9-,10-/m1/s1
InChIKey
KKGWTCIJHCXRTO-NXEZZACHSA-N
Compound name
tert-butyl (4R,5R)-4-ethynyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

239.15215 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.159426 150.0
[M+Na]+ 262.141368 160.4
[M-H]- 238.144874 151.9
[M+NH4]+ 257.185973 167.6
[M+K]+ 278.115308 159.0
[M+H-H2O]+ 222.149410 139.7
[M+HCOO]- 284.150351 162.4
[M+CH3COO]- 298.166001 199.6
[M+Na-2H]- 260.126816 152.0
[M]+ 239.15160142 147.9
[M]- 239.15269858 147.9
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

patents stripe