CID 156587255

Chebi:177300

Structural Information

Molecular Formula
C11H23N2O10PS
SMILES
CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS(=O)(=O)O)O
InChI
InChI=1S/C11H23N2O10PS/c1-11(2,7-23-24(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-25(20,21)22/h9,15H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)(H,20,21,22)/t9-/m0/s1
InChIKey
USVKSSSBJQTIBQ-VIFPVBQESA-N
Compound name
2-[3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl]amino]propanoylamino]ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.08112 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.08840 181.1
[M+Na]+ 429.07034 183.8
[M-H]- 405.07384 187.0
[M+NH4]+ 424.11494 183.1
[M+K]+ 445.04428 177.0
[M+H-H2O]+ 389.07838 166.9
[M+HCOO]- 451.07932 187.3
[M+CH3COO]- 465.09497 213.6
[M+Na-2H]- 427.05579 169.6
[M]+ 406.08057 177.6
[M]- 406.08167 177.6
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.