CID 62115780

Methyl 2-cyclobutoxyacetate

Structural Information

Molecular Formula

C₇H₁₂O₃

SMILES

COC(=O)COC1CCC1

InChI

InChI=1S/C7H12O3/c1-9-7(8)5-10-6-3-2-4-6/h6H,2-5H2,1H3

InChIKey

YBPVIGMMACIOOG-UHFFFAOYSA-N

Compound name

methyl 2-cyclobutyloxyacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 144.07864 Da
Monoisotopic Mass: 0.9
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]+	145.085916	126.4
[M+Na]+	167.067858	131.5
[M-H]-	143.071364	129.8
[M+NH4]+	162.112463	141.2
[M+K]+	183.041798	135.3
[M+H-H2O]+	127.075900	116.3
[M+HCOO]-	189.076841	148.1
[M+CH3COO]-	203.092491	177.0
[M+Na-2H]-	165.053306	131.7
[M]+	144.07809142	136.7
[M]-	144.07918858	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe