CID 12138593

[(1s)-1-acetamidoethyl]phosphonate

Structural Information

Molecular Formula
C4H10NO4P
SMILES
C[C@@H](NC(=O)C)P(=O)(O)O
InChI
InChI=1S/C4H10NO4P/c1-3(6)5-4(2)10(7,8)9/h4H,1-2H3,(H,5,6)(H2,7,8,9)/t4-/m0/s1
InChIKey
OWNNFWRGXJDEEX-BYPYZUCNSA-N
Compound name
[(1S)-1-acetamidoethyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.03474 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.042016 135.6
[M+Na]+ 190.023958 141.8
[M-H]- 166.027464 132.3
[M+NH4]+ 185.068563 154.9
[M+K]+ 205.997898 142.1
[M+H-H2O]+ 150.032000 129.3
[M+HCOO]- 212.032941 160.9
[M+CH3COO]- 226.048591 175.3
[M+Na-2H]- 188.009406 137.5
[M]+ 167.03419142 135.5
[M]- 167.03528858 135.5
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.