CID 89336223

Chebi:177365

Structural Information

Molecular Formula
C5H11O6P
SMILES
C[C@](CO)([C@H]1COP(=O)(O1)O)O
InChI
InChI=1S/C5H11O6P/c1-5(7,3-6)4-2-10-12(8,9)11-4/h4,6-7H,2-3H2,1H3,(H,8,9)/t4-,5+/m1/s1
InChIKey
BOPIGILYBRIHTQ-UHNVWZDZSA-N
Compound name
(2S)-2-[(4R)-2-hydroxy-2-oxo-1,3,2lambda5-dioxaphospholan-4-yl]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

198.02933 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.03661 139.5
[M+Na]+ 221.01855 146.5
[M-H]- 197.02205 139.3
[M+NH4]+ 216.06315 158.2
[M+K]+ 236.99249 148.2
[M+H-H2O]+ 181.02659 134.6
[M+HCOO]- 243.02753 161.6
[M+CH3COO]- 257.04318 172.5
[M+Na-2H]- 219.00400 145.0
[M]+ 198.02878 140.8
[M]- 198.02988 140.8
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