CID 90657488

N-acetyldemethylphosphinothricinate (2-)

Structural Information

Molecular Formula
C6H10NO5P
SMILES
CC(=O)N[C@@H](CC[P+](=O)[O-])C(=O)O
InChI
InChI=1S/C6H10NO5P/c1-4(8)7-5(6(9)10)2-3-13(11)12/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1
InChIKey
IZFQAKRXUFDYKO-YFKPBYRVSA-N
Compound name
[(3S)-3-acetamido-3-carboxypropyl]-oxido-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

207.02966 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.03694 143.5
[M+Na]+ 230.01888 148.5
[M-H]- 206.02238 140.1
[M+NH4]+ 225.06348 160.6
[M+K]+ 245.99282 144.0
[M+H-H2O]+ 190.02692 141.4
[M+HCOO]- 252.02786 168.9
[M+CH3COO]- 266.04351 175.0
[M+Na-2H]- 228.00433 144.2
[M]+ 207.02911 142.3
[M]- 207.03021 142.3
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.