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
2
Annotation Hits

0
References

1939
Patents

249.01672 Da
Monoisotopic Mass

-6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.02400 154.9
[M+Na]+ 272.00594 159.4
[M-H]- 248.00944 147.4
[M+NH4]+ 267.05054 152.7
[M+K]+ 287.97988 159.7
[M+H-H2O]+ 232.01398 146.0
[M+HCOO]- 294.01492 181.9
[M+CH3COO]- 308.03057 185.2
[M+Na-2H]- 269.99139 156.6
[M]+ 249.01617 156.5
[M]- 249.01727 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