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

11
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 148.4
[M+Na]+ 262.14137 157.4
[M+NH4]+ 257.18597 152.2
[M+K]+ 278.11531 151.4
[M-H]- 238.14487 140.3
[M+Na-2H]- 260.12682 148.6
[M]+ 239.15160 146.6
[M]- 239.15270 146.6
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

patents stripe