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]+ 240.15943 150.0
[M+Na]+ 262.14137 160.4
[M-H]- 238.14487 151.9
[M+NH4]+ 257.18597 167.6
[M+K]+ 278.11531 159.0
[M+H-H2O]+ 222.14941 139.7
[M+HCOO]- 284.15035 162.4
[M+CH3COO]- 298.16600 199.6
[M+Na-2H]- 260.12682 152.0
[M]+ 239.15160 147.9
[M]- 239.15270 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