CID 121552548

Ethyl 2-cyclobutylpropanoate

Structural Information

Molecular Formula
C9H16O2
SMILES
CCOC(=O)C(C)C1CCC1
InChI
InChI=1S/C9H16O2/c1-3-11-9(10)7(2)8-5-4-6-8/h7-8H,3-6H2,1-2H3
InChIKey
SCUABANXLDEEJN-UHFFFAOYSA-N
Compound name
ethyl 2-cyclobutylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

156.11504 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 135.3
[M+Na]+ 179.10426 139.4
[M-H]- 155.10776 138.4
[M+NH4]+ 174.14886 149.6
[M+K]+ 195.07820 142.6
[M+H-H2O]+ 139.11230 125.0
[M+HCOO]- 201.11324 155.1
[M+CH3COO]- 215.12889 181.8
[M+Na-2H]- 177.08971 138.0
[M]+ 156.11449 144.2
[M]- 156.11559 144.2
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