CID 192579

S-methyl phosphocysteine

Structural Information

Molecular Formula
C4H10NO5PS
SMILES
C([C@@H](C(=O)O)N)SCP(=O)(O)O
InChI
InChI=1S/C4H10NO5PS/c5-3(4(6)7)1-12-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1
InChIKey
IIALWEPLPCANHU-VKHMYHEASA-N
Compound name
(2R)-2-amino-3-(phosphonomethylsulfanyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

20
Patents

215.00172 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.00900 143.1
[M+Na]+ 237.99094 147.8
[M-H]- 213.99444 137.4
[M+NH4]+ 233.03554 159.3
[M+K]+ 253.96488 146.1
[M+H-H2O]+ 197.99898 135.8
[M+HCOO]- 259.99992 161.1
[M+CH3COO]- 274.01557 179.2
[M+Na-2H]- 235.97639 141.2
[M]+ 215.00117 143.1
[M]- 215.00227 143.1
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.