CID 119411

Tris(2-carboxyethyl)phosphine

Structural Information

Molecular Formula
C9H15O6P
SMILES
C(CP(CCC(=O)O)CCC(=O)O)C(=O)O
InChI
InChI=1S/C9H15O6P/c10-7(11)1-4-16(5-2-8(12)13)6-3-9(14)15/h1-6H2,(H,10,11)(H,12,13)(H,14,15)
InChIKey
PZBFGYYEXUXCOF-UHFFFAOYSA-N
Compound name
3-[bis(2-carboxyethyl)phosphanyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

714
References

80607
Patents

250.06062 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.06790 158.5
[M+Na]+ 273.04984 162.3
[M-H]- 249.05334 152.8
[M+NH4]+ 268.09444 173.5
[M+K]+ 289.02378 161.6
[M+H-H2O]+ 233.05788 151.1
[M+HCOO]- 295.05882 179.9
[M+CH3COO]- 309.07447 188.5
[M+Na-2H]- 271.03529 154.1
[M]+ 250.06007 160.7
[M]- 250.06117 160.8
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