CID 439467

Scyllo-inosamine-4-phosphate

Structural Information

Molecular Formula
C6H14NO8P
SMILES
[C@H]1([C@H](C([C@H]([C@@H](C1N)O)O)OP(=O)(O)O)O)O
InChI
InChI=1S/C6H14NO8P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-6,8-11H,7H2,(H2,12,13,14)/t1?,2-,3+,4+,5-,6?
InChIKey
AYESCHMRXGYEFV-UYSNGIAKSA-N
Compound name
[(2R,3S,5R,6S)-4-amino-2,3,5,6-tetrahydroxycyclohexyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

259.04572 Da
Monoisotopic Mass

-7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.05300 151.7
[M+Na]+ 282.03494 155.4
[M+NH4]+ 277.07954 153.6
[M+K]+ 298.00888 157.8
[M-H]- 258.03844 146.3
[M+Na-2H]- 280.02039 148.1
[M]+ 259.04517 149.6
[M]- 259.04627 149.6
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.