CID 17792719

4-acetamido-5-oxo-5-phosphonooxypentanoic acid

Structural Information

Molecular Formula
C7H12NO8P
SMILES
CC(=O)NC(CCC(=O)O)C(=O)OP(=O)(O)O
InChI
InChI=1S/C7H12NO8P/c1-4(9)8-5(2-3-6(10)11)7(12)16-17(13,14)15/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H2,13,14,15)
InChIKey
OJJHFKVRJCQKLN-UHFFFAOYSA-N
Compound name
4-acetamido-5-oxo-5-phosphonooxypentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

284
Patents

269.03006 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.03734 153.9
[M+Na]+ 292.01928 157.9
[M-H]- 268.02278 148.7
[M+NH4]+ 287.06388 165.2
[M+K]+ 307.99322 159.1
[M+H-H2O]+ 252.02732 146.6
[M+HCOO]- 314.02826 170.1
[M+CH3COO]- 328.04391 190.6
[M+Na-2H]- 290.00473 152.7
[M]+ 269.02951 155.9
[M]- 269.03061 155.9
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

patents stripe