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]+ 157.08592 131.7
[M+Na]+ 179.06786 136.2
[M-H]- 155.07136 134.9
[M+NH4]+ 174.11246 145.8
[M+K]+ 195.04180 139.7
[M+H-H2O]+ 139.07590 121.4
[M+HCOO]- 201.07684 152.1
[M+CH3COO]- 215.09249 179.9
[M+Na-2H]- 177.05331 134.9
[M]+ 156.07809 140.9
[M]- 156.07919 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