CID 155821148

2490322-85-3

Structural Information

Molecular Formula
C13H23NO4
SMILES
CC(C)(C)OC(=O)N1C[C@H]2[C@@](C1)(CCCO2)CO
InChI
InChI=1S/C13H23NO4/c1-12(2,3)18-11(16)14-7-10-13(8-14,9-15)5-4-6-17-10/h10,15H,4-9H2,1-3H3/t10-,13+/m0/s1
InChIKey
BNNBLVWHMABNJN-GXFFZTMASA-N
Compound name
tert-butyl (4aR,7aR)-4a-(hydroxymethyl)-2,3,4,5,7,7a-hexahydropyrano[2,3-c]pyrrole-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.16272 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.169996 160.9
[M+Na]+ 280.151938 165.7
[M-H]- 256.155444 162.3
[M+NH4]+ 275.196543 179.3
[M+K]+ 296.125878 165.8
[M+H-H2O]+ 240.159980 156.1
[M+HCOO]- 302.160921 173.6
[M+CH3COO]- 316.176571 189.7
[M+Na-2H]- 278.137386 164.7
[M]+ 257.16217142 159.8
[M]- 257.16326858 159.8
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.