CID 16205603

85237-85-0

Structural Information

Molecular Formula
C9H13NO5
SMILES
CC(=O)CC(=O)C(NC(=O)C)OC(=O)C
InChI
InChI=1S/C9H13NO5/c1-5(11)4-8(14)9(10-6(2)12)15-7(3)13/h9H,4H2,1-3H3,(H,10,12)
InChIKey
CQCUYOGWLHGGOR-UHFFFAOYSA-N
Compound name
(1-acetamido-2,4-dioxopentyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.07938 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.08666 145.6
[M+Na]+ 238.06860 150.8
[M-H]- 214.07210 145.8
[M+NH4]+ 233.11320 163.4
[M+K]+ 254.04254 152.2
[M+H-H2O]+ 198.07664 140.1
[M+HCOO]- 260.07758 166.5
[M+CH3COO]- 274.09323 190.8
[M+Na-2H]- 236.05405 145.4
[M]+ 215.07883 148.3
[M]- 215.07993 148.3
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.