CID 108696

55339-20-3

Structural Information

Molecular Formula
C6H13NO10P2
SMILES
CC(N(CC(=O)O)CC(=O)O)(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C6H13NO10P2/c1-6(18(12,13)14,19(15,16)17)7(2-4(8)9)3-5(10)11/h2-3H2,1H3,(H,8,9)(H,10,11)(H2,12,13,14)(H2,15,16,17)
InChIKey
PJXKZTFOBRSZOY-UHFFFAOYSA-N
Compound name
2-[carboxymethyl(1,1-diphosphonoethyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

321.00146 Da
Monoisotopic Mass

-6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.00874 163.0
[M+Na]+ 343.99068 164.0
[M+NH4]+ 339.03528 165.1
[M+K]+ 359.96462 157.7
[M-H]- 319.99418 162.0
[M+Na-2H]- 341.97613 169.1
[M]+ 321.00091 159.3
[M]- 321.00201 159.3
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