CID 130037392

1824569-62-1

Structural Information

Molecular Formula
C8H12O3
SMILES
CC1CC1C(=O)CC(=O)OC
InChI
InChI=1S/C8H12O3/c1-5-3-6(5)7(9)4-8(10)11-2/h5-6H,3-4H2,1-2H3
InChIKey
JKQNHECHELGMIL-UHFFFAOYSA-N
Compound name
methyl 3-(2-methylcyclopropyl)-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

156.07864 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.085916 132.7
[M+Na]+ 179.067858 142.1
[M-H]- 155.071364 137.7
[M+NH4]+ 174.112463 149.1
[M+K]+ 195.041798 140.7
[M+H-H2O]+ 139.075900 127.2
[M+HCOO]- 201.076841 155.3
[M+CH3COO]- 215.092491 181.4
[M+Na-2H]- 177.053306 136.3
[M]+ 156.07809142 137.9
[M]- 156.07918858 137.9
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