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
2
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]+ 216.086656 145.6
[M+Na]+ 238.068598 150.8
[M-H]- 214.072104 145.8
[M+NH4]+ 233.113203 163.4
[M+K]+ 254.042538 152.2
[M+H-H2O]+ 198.076640 140.1
[M+HCOO]- 260.077581 166.5
[M+CH3COO]- 274.093231 190.8
[M+Na-2H]- 236.054046 145.4
[M]+ 215.07883142 148.3
[M]- 215.07992858 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.