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: 20
Patents: 156.11504 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	157.122316	135.3
[M+Na]+	179.104258	139.4
[M-H]-	155.107764	138.4
[M+NH4]+	174.148863	149.6
[M+K]+	195.078198	142.6
[M+H-H2O]+	139.112300	125.0
[M+HCOO]-	201.113241	155.1
[M+CH3COO]-	215.128891	181.8
[M+Na-2H]-	177.089706	138.0
[M]+	156.11449142	144.2
[M]-	156.11558858	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe