CID 106402

Einecs 268-195-7

Structural Information

Molecular Formula
C4H11NO8P2
SMILES
C(C(=O)O)N(COP(O)O)COP(O)O
InChI
InChI=1S/C4H11NO8P2/c6-4(7)1-5(2-12-14(8)9)3-13-15(10)11/h8-11H,1-3H2,(H,6,7)
InChIKey
HDKUQKGJRLBBIO-UHFFFAOYSA-N
Compound name
2-[bis(dihydroxyphosphanyloxymethyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

262.996 Da
Monoisotopic Mass

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.00328 155.3
[M+Na]+ 285.98522 158.0
[M-H]- 261.98872 147.5
[M+NH4]+ 281.02982 171.6
[M+K]+ 301.95916 160.3
[M+H-H2O]+ 245.99326 145.0
[M+HCOO]- 307.99420 177.1
[M+CH3COO]- 322.00985 190.4
[M+Na-2H]- 283.97067 150.8
[M]+ 262.99545 158.2
[M]- 262.99655 158.2
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.