CID 88478198

(2-acetamidoethyl)phosphonate

Structural Information

Molecular Formula
C4H10NO4P
SMILES
CC(=O)NCCP(=O)(O)O
InChI
InChI=1S/C4H10NO4P/c1-4(6)5-2-3-10(7,8)9/h2-3H2,1H3,(H,5,6)(H2,7,8,9)
InChIKey
ACVGHZIZZPJLSQ-UHFFFAOYSA-N
Compound name
2-acetamidoethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

167.03474 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.04202 135.6
[M+Na]+ 190.02396 142.1
[M-H]- 166.02746 132.3
[M+NH4]+ 185.06856 155.0
[M+K]+ 205.99790 141.8
[M+H-H2O]+ 150.03200 129.2
[M+HCOO]- 212.03294 161.9
[M+CH3COO]- 226.04859 174.4
[M+Na-2H]- 188.00941 138.8
[M]+ 167.03419 136.2
[M]- 167.03529 136.2
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.