CID 439871

Fuculose 1-phosphate

Structural Information

Molecular Formula
C6H13O8P
SMILES
C[C@H]1[C@H]([C@H]([C@@H](C(O1)OP(=O)(O)O)O)O)O
InChI
InChI=1S/C6H13O8P/c1-2-3(7)4(8)5(9)6(13-2)14-15(10,11)12/h2-9H,1H3,(H2,10,11,12)/t2-,3+,4+,5-,6?/m0/s1
InChIKey
PTVXQARCLQPGIR-DHVFOXMCSA-N
Compound name
[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

23
References

759
Patents

244.0348 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.04208 149.4
[M+Na]+ 267.02402 155.5
[M-H]- 243.02752 146.0
[M+NH4]+ 262.06862 162.7
[M+K]+ 282.99796 156.0
[M+H-H2O]+ 227.03206 142.7
[M+HCOO]- 289.03300 167.1
[M+CH3COO]- 303.04865 180.8
[M+Na-2H]- 265.00947 150.3
[M]+ 244.03425 148.5
[M]- 244.03535 148.5
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