CID 52911251

Methyl 3-cyclobutyl-3-oxopropanoate

Structural Information

Molecular Formula
C8H12O3
SMILES
COC(=O)CC(=O)C1CCC1
InChI
InChI=1S/C8H12O3/c1-11-8(10)5-7(9)6-3-2-4-6/h6H,2-5H2,1H3
InChIKey
VOLSRTAMKIBBTQ-UHFFFAOYSA-N
Compound name
methyl 3-cyclobutyl-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

133
Patents

156.07864 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.085916 131.7
[M+Na]+ 179.067858 136.2
[M-H]- 155.071364 134.9
[M+NH4]+ 174.112463 145.8
[M+K]+ 195.041798 139.7
[M+H-H2O]+ 139.075900 121.4
[M+HCOO]- 201.076841 152.1
[M+CH3COO]- 215.092491 179.9
[M+Na-2H]- 177.053306 134.9
[M]+ 156.07809142 140.9
[M]- 156.07918858 140.9
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