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 164.7
[M+Na]+ 310.12612 169.3
[M-H]- 286.12962 166.9
[M+NH4]+ 305.17072 178.5
[M+K]+ 326.10006 171.1
[M+H-H2O]+ 270.13416 159.7
[M+HCOO]- 332.13510 176.1
[M+CH3COO]- 346.15075 196.4
[M+Na-2H]- 308.11157 166.8
[M]+ 287.13635 165.9
[M]- 287.13745 165.9
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.