CID 186004

2,3-bisphospho-d-glycerate

Structural Information

Molecular Formula
C3H8O10P2
SMILES
C([C@H](C(=O)O)OP(=O)(O)O)OP(=O)(O)O
InChI
InChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1
InChIKey
XOHUEYCVLUUEJJ-UWTATZPHSA-N
Compound name
(2R)-2,3-diphosphonooxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

731
Patents

265.95926 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.96654 149.8
[M+Na]+ 288.94848 154.6
[M-H]- 264.95198 154.7
[M+NH4]+ 283.99308 152.7
[M+K]+ 304.92242 156.3
[M+H-H2O]+ 248.95652 141.3
[M+HCOO]- 310.95746 166.2
[M+CH3COO]- 324.97311 181.8
[M+Na-2H]- 286.93393 151.5
[M]+ 265.95871 148.5
[M]- 265.95981 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