CID 138046662

2248279-71-0

Structural Information

Molecular Formula
C13H21NO6
SMILES
CC(C)(C)OC(=O)N1C[C@H](O[C@H]2[C@H]1COC2)CC(=O)O
InChI
InChI=1S/C13H21NO6/c1-13(2,3)20-12(17)14-5-8(4-11(15)16)19-10-7-18-6-9(10)14/h8-10H,4-7H2,1-3H3,(H,15,16)/t8-,9-,10-/m1/s1
InChIKey
DRYPKHPAXMTBJK-OPRDCNLKSA-N
Compound name
2-[(2R,4aR,7aS)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3,4a,5,7,7a-hexahydrofuro[3,4-b][1,4]oxazin-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.1369 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.14418 163.7
[M+Na]+ 310.12612 169.9
[M+NH4]+ 305.17072 168.1
[M+K]+ 326.10006 171.2
[M-H]- 286.12962 163.1
[M+Na-2H]- 308.11157 161.4
[M]+ 287.13635 163.9
[M]- 287.13745 163.9
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

No patent data available for this compound.