CID 9543357

Hydrogen (1r,2r)-1- l-cysteine-2-hydroxypropylphosphonic acid

Structural Information

Molecular Formula
C6H14NO6PS
SMILES
C[C@H]([C@@H](P(=O)(O)O)SCC(C(=O)O)N)O
InChI
InChI=1S/C6H14NO6PS/c1-3(8)6(14(11,12)13)15-2-4(7)5(9)10/h3-4,6,8H,2,7H2,1H3,(H,9,10)(H2,11,12,13)/t3-,4?,6+/m1/s1
InChIKey
ACZNEKUZDVGTFM-UNEIAVTISA-N
Compound name
2-amino-3-[(1S,2R)-2-hydroxy-1-phosphonopropyl]sulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.02795 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.03523 154.6
[M+Na]+ 282.01717 157.1
[M-H]- 258.02067 147.1
[M+NH4]+ 277.06177 168.0
[M+K]+ 297.99111 156.0
[M+H-H2O]+ 242.02521 147.0
[M+HCOO]- 304.02615 168.6
[M+CH3COO]- 318.04180 187.2
[M+Na-2H]- 280.00262 149.5
[M]+ 259.02740 153.5
[M]- 259.02850 153.5
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

No patent data available for this compound.