CID 145874661

2375261-17-7

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]+ 185.08084 139.7
[M+Na]+ 207.06278 147.8
[M-H]- 183.06628 144.2
[M+NH4]+ 202.10738 154.5
[M+K]+ 223.03672 146.4
[M+H-H2O]+ 167.07082 133.8
[M+HCOO]- 229.07176 161.4
[M+CH3COO]- 243.08741 185.1
[M+Na-2H]- 205.04823 142.2
[M]+ 184.07301 145.0
[M]- 184.07411 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.