CID 10130754

2-(phosphonomethyl)pentanedioic acid

Structural Information

Molecular Formula
C6H11O7P
SMILES
C(CC(=O)O)C(CP(=O)(O)O)C(=O)O
InChI
InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)
InChIKey
ISEYJGQFXSTPMQ-UHFFFAOYSA-N
Compound name
2-(phosphonomethyl)pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

99
References

1812
Patents

226.02425 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.03153 147.2
[M+Na]+ 249.01347 151.1
[M+NH4]+ 244.05807 149.0
[M+K]+ 264.98741 152.7
[M-H]- 225.01697 139.4
[M+Na-2H]- 246.99892 144.0
[M]+ 226.02370 144.5
[M]- 226.02480 144.5
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