CID 80101

53kmp01va9

Structural Information

Molecular Formula
C4H13NO7P2
SMILES
C(CO)N(CP(=O)(O)O)CP(=O)(O)O
InChI
InChI=1S/C4H13NO7P2/c6-2-1-5(3-13(7,8)9)4-14(10,11)12/h6H,1-4H2,(H2,7,8,9)(H2,10,11,12)
InChIKey
YAWYUSRBDMEKHZ-UHFFFAOYSA-N
Compound name
[2-hydroxyethyl(phosphonomethyl)amino]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1510
Patents

249.01672 Da
Monoisotopic Mass

-6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.023996 154.9
[M+Na]+ 272.005938 159.4
[M-H]- 248.009444 147.4
[M+NH4]+ 267.050543 152.7
[M+K]+ 287.979878 159.7
[M+H-H2O]+ 232.013980 146.0
[M+HCOO]- 294.014921 181.9
[M+CH3COO]- 308.030571 185.2
[M+Na-2H]- 269.991386 156.6
[M]+ 249.01617142 156.5
[M]- 249.01726858 156.5
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