CID 28847

Cyanustine

Structural Information

Molecular Formula
C15H25NO4
SMILES
C[C@@H]([C@](C(C)C)(C(=O)OCC1=CCN2[C@@H]1CCC2)O)O
InChI
InChI=1S/C15H25NO4/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16/h6,10-11,13,17,19H,4-5,7-9H2,1-3H3/t11-,13+,15+/m0/s1
InChIKey
DRVWTOSBCBKXOR-NJZAAPMLSA-N
Compound name
[(8R)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

179
Patents

283.17834 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.18562 166.7
[M+Na]+ 306.16756 171.2
[M+NH4]+ 301.21216 171.7
[M+K]+ 322.14150 173.3
[M-H]- 282.17106 163.4
[M+Na-2H]- 304.15301 165.2
[M]+ 283.17779 165.8
[M]- 283.17889 165.8
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.