CID 6398483

Methionine phosphinate

Structural Information

Molecular Formula
C4H11NO2PS
SMILES
CSCC[C@H](N)[P+](=O)O
InChI
InChI=1S/C4H10NO2PS/c1-9-3-2-4(5)8(6)7/h4H,2-3,5H2,1H3/p+1/t4-/m1/s1
InChIKey
BSTOZABDPPHMGK-SCSAIBSYSA-O
Compound name
[(1R)-1-amino-3-methylsulfanylpropyl]-hydroxy-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

168.02481 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.03209 130.8
[M+Na]+ 191.01403 136.6
[M-H]- 167.01753 128.6
[M+NH4]+ 186.05863 150.7
[M+K]+ 206.98797 130.0
[M+H-H2O]+ 151.02207 126.3
[M+HCOO]- 213.02301 152.4
[M+CH3COO]- 227.03866 170.9
[M+Na-2H]- 188.99948 131.1
[M]+ 168.02426 130.3
[M]- 168.02536 130.3
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.