CID 505914

1-[(2r,3r,4s)-4-amino-6-isopropenyl-2-[(1r,2r)-1,2,3-trihydroxypropyl]-3,4-dihydro-2h-pyran-3-yl]pyrrolidin-2-one

Structural Information

Molecular Formula
C15H24N2O5
SMILES
CC(=C)C1=C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)N2CCCC2=O)N
InChI
InChI=1S/C15H24N2O5/c1-8(2)11-6-9(16)13(17-5-3-4-12(17)20)15(22-11)14(21)10(19)7-18/h6,9-10,13-15,18-19,21H,1,3-5,7,16H2,2H3/t9-,10+,13+,14+,15+/m0/s1
InChIKey
SGFBIDGDFXLTFR-HFTJKPBSSA-N
Compound name
1-[(2R,3R,4S)-4-amino-6-prop-1-en-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-3-yl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.16852 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.17580 175.2
[M+Na]+ 335.15774 177.9
[M-H]- 311.16124 176.1
[M+NH4]+ 330.20234 186.0
[M+K]+ 351.13168 176.1
[M+H-H2O]+ 295.16578 168.6
[M+HCOO]- 357.16672 186.1
[M+CH3COO]- 371.18237 203.7
[M+Na-2H]- 333.14319 169.3
[M]+ 312.16797 169.2
[M]- 312.16907 169.2
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.