CID 439467

1-amino-1-deoxy-scyllo-inositol 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
[(2S,3R,5S,6R)-4-amino-2,3,5,6-tetrahydroxycyclohexyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

259.04572 Da
Monoisotopic Mass

-7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.052996 152.1
[M+Na]+ 282.034938 157.5
[M-H]- 258.038444 146.3
[M+NH4]+ 277.079543 164.8
[M+K]+ 298.008878 156.4
[M+H-H2O]+ 242.042980 145.4
[M+HCOO]- 304.043921 169.3
[M+CH3COO]- 318.059571 185.6
[M+Na-2H]- 280.020386 150.2
[M]+ 259.04517142 147.2
[M]- 259.04626858 147.2
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

patents stripe