CID 56603712

Gpi-16072

Structural Information

Molecular Formula
C6H11O7P
SMILES
C(CC(=O)O)C(CP(O)OO)C(=O)O
InChI
InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(12)13-11/h4,11-12H,1-3H2,(H,7,8)(H,9,10)
InChIKey
HKANXFJUBKMWSW-UHFFFAOYSA-N
Compound name
2-[[hydroperoxy(hydroxy)phosphanyl]methyl]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.02425 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.03153 149.2
[M+Na]+ 249.01347 153.0
[M+NH4]+ 244.05807 151.3
[M+K]+ 264.98741 154.2
[M-H]- 225.01697 142.0
[M+Na-2H]- 246.99892 145.7
[M]+ 226.02370 146.6
[M]- 226.02480 146.6
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

No patent data available for this compound.