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

10
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

literature stripe

Patent stripe

patents stripe