CID 65533

Alpha-d-glucose-1-phosphate

Structural Information

Molecular Formula
C6H13O9P
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O
InChI
InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1
InChIKey
HXXFSFRBOHSIMQ-VFUOTHLCSA-N
Compound name
[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

707
References

42429
Patents

260.02972 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.03700 152.0
[M+Na]+ 283.01894 157.4
[M-H]- 259.02244 147.2
[M+NH4]+ 278.06354 163.8
[M+K]+ 298.99288 157.8
[M+H-H2O]+ 243.02698 145.1
[M+HCOO]- 305.02792 168.4
[M+CH3COO]- 319.04357 181.4
[M+Na-2H]- 281.00439 152.8
[M]+ 260.02917 150.7
[M]- 260.03027 150.7
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