CID 107737

Inositol 1-phosphate

Structural Information

Molecular Formula
C6H13O9P
SMILES
[C@H]1([C@H](C([C@@H]([C@@H](C1O)O)O)OP(=O)(O)O)O)O
InChI
InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1?,2-,3+,4-,5-,6?/m1/s1
InChIKey
INAPMGSXUVUWAF-GCVPSNMTSA-N
Compound name
[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1870
References

21223
Patents

260.02972 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.03700 150.9
[M+Na]+ 283.01894 155.1
[M+NH4]+ 278.06354 152.5
[M+K]+ 298.99288 157.7
[M-H]- 259.02244 144.4
[M+Na-2H]- 281.00439 147.1
[M]+ 260.02917 148.6
[M]- 260.03027 148.6
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