CID 91467

Streptovitacin a

Structural Information

Molecular Formula
C15H23NO5
SMILES
CC1CC(CC(C1=O)C(CC2CC(=O)NC(=O)C2)O)(C)O
InChI
InChI=1S/C15H23NO5/c1-8-6-15(2,21)7-10(14(8)20)11(17)3-9-4-12(18)16-13(19)5-9/h8-11,17,21H,3-7H2,1-2H3,(H,16,18,19)
InChIKey
NFDQYBUVHVRNNY-UHFFFAOYSA-N
Compound name
4-[2-hydroxy-2-(5-hydroxy-3,5-dimethyl-2-oxocyclohexyl)ethyl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

26
References

102
Patents

297.15762 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.16490 168.8
[M+Na]+ 320.14684 173.3
[M-H]- 296.15034 169.3
[M+NH4]+ 315.19144 182.6
[M+K]+ 336.12078 170.0
[M+H-H2O]+ 280.15488 163.1
[M+HCOO]- 342.15582 178.7
[M+CH3COO]- 356.17147 197.7
[M+Na-2H]- 318.13229 166.2
[M]+ 297.15707 161.7
[M]- 297.15817 161.7
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.