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]+ 168.04202 135.6
[M+Na]+ 190.02396 141.8
[M-H]- 166.02746 132.3
[M+NH4]+ 185.06856 154.9
[M+K]+ 205.99790 142.1
[M+H-H2O]+ 150.03200 129.3
[M+HCOO]- 212.03294 160.9
[M+CH3COO]- 226.04859 175.3
[M+Na-2H]- 188.00941 137.5
[M]+ 167.03419 135.5
[M]- 167.03529 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.