CID 145874661

Methyl 5-cyclopropyl-2,4-dioxopentanoate

Structural Information

Molecular Formula
C9H12O4
SMILES
COC(=O)C(=O)CC(=O)CC1CC1
InChI
InChI=1S/C9H12O4/c1-13-9(12)8(11)5-7(10)4-6-2-3-6/h6H,2-5H2,1H3
InChIKey
LDWLUPRKQXYDCN-UHFFFAOYSA-N
Compound name
methyl 5-cyclopropyl-2,4-dioxopentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.07356 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.080836 139.7
[M+Na]+ 207.062778 147.8
[M-H]- 183.066284 144.2
[M+NH4]+ 202.107383 154.5
[M+K]+ 223.036718 146.4
[M+H-H2O]+ 167.070820 133.8
[M+HCOO]- 229.071761 161.4
[M+CH3COO]- 243.087411 185.1
[M+Na-2H]- 205.048226 142.2
[M]+ 184.07301142 145.0
[M]- 184.07410858 145.0
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.