CID 163683

98565-18-5

Structural Information

Molecular Formula
C5H13N2O6PS
SMILES
CN(C(=O)CNCP(=O)(O)O)S(=O)(=O)C
InChI
InChI=1S/C5H13N2O6PS/c1-7(15(2,12)13)5(8)3-6-4-14(9,10)11/h6H,3-4H2,1-2H3,(H2,9,10,11)
InChIKey
HPDFFWOTIYEPLZ-UHFFFAOYSA-N
Compound name
[[2-[methyl(methylsulfonyl)amino]-2-oxoethyl]amino]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

260.0232 Da
Monoisotopic Mass

-5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.03048 149.7
[M+Na]+ 283.01242 154.5
[M-H]- 259.01592 147.3
[M+NH4]+ 278.05702 165.4
[M+K]+ 298.98636 154.6
[M+H-H2O]+ 243.02046 141.8
[M+HCOO]- 305.02140 171.1
[M+CH3COO]- 319.03705 192.9
[M+Na-2H]- 280.99787 151.8
[M]+ 260.02265 153.3
[M]- 260.02375 153.3
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