CID 21846412

Ethyl 3-cyclobutyl-3-oxopropanoate

Structural Information

Molecular Formula
C9H14O3
SMILES
CCOC(=O)CC(=O)C1CCC1
InChI
InChI=1S/C9H14O3/c1-2-12-9(11)6-8(10)7-4-3-5-7/h7H,2-6H2,1H3
InChIKey
HYHZQZSNOAJEPU-UHFFFAOYSA-N
Compound name
ethyl 3-cyclobutyl-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

170.0943 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.101576 136.4
[M+Na]+ 193.083518 140.6
[M-H]- 169.087024 139.5
[M+NH4]+ 188.128123 150.0
[M+K]+ 209.057458 143.8
[M+H-H2O]+ 153.091560 125.9
[M+HCOO]- 215.092501 156.6
[M+CH3COO]- 229.108151 182.8
[M+Na-2H]- 191.068966 139.2
[M]+ 170.09375142 146.0
[M]- 170.09484858 146.0
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

patents stripe