CID 136594

765-85-5

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

COC(=O)C1CCC1

InChI

InChI=1S/C6H10O2/c1-8-6(7)5-3-2-4-5/h5H,2-4H2,1H3

InChIKey

CBTGNLZUIZHUHY-UHFFFAOYSA-N

Compound name

methyl cyclobutanecarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1129
Patents: 114.06808 Da
Monoisotopic Mass: 1.1
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]+	115.07536	119.3
[M+Na]+	137.05730	124.9
[M-H]-	113.06080	122.9
[M+NH4]+	132.10190	135.4
[M+K]+	153.03124	128.5
[M+H-H2O]+	97.065340	109.7
[M+HCOO]-	159.06628	141.1
[M+CH3COO]-	173.08193	172.1
[M+Na-2H]-	135.04275	125.1
[M]+	114.06753	127.8
[M]-	114.06863	127.8

Literature stripe

literature stripe

Patent stripe

patents stripe