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
1
Annotation Hits

26
References

203
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

literature stripe

Patent stripe

patents stripe