CID 439413

L-rhamnulose 1-phosphate(2-)

Structural Information

Molecular Formula
C6H13O8P
SMILES
C[C@@H]([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O
InChI
InChI=1S/C6H13O8P/c1-3(7)5(9)6(10)4(8)2-14-15(11,12)13/h3,5-7,9-10H,2H2,1H3,(H2,11,12,13)/t3-,5+,6+/m0/s1
InChIKey
KNYGWWDTPGSEPD-OTWZMJIISA-N
Compound name
[(3S,4R,5S)-3,4,5-trihydroxy-2-oxohexyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

92
Patents

244.0348 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.04208 151.2
[M+Na]+ 267.02402 154.9
[M-H]- 243.02752 143.2
[M+NH4]+ 262.06862 164.8
[M+K]+ 282.99796 155.8
[M+H-H2O]+ 227.03206 144.6
[M+HCOO]- 289.03300 169.0
[M+CH3COO]- 303.04865 181.0
[M+Na-2H]- 265.00947 148.8
[M]+ 244.03425 151.4
[M]- 244.03535 151.4
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