CID 72207861

Ethyl 2-(3-hydroxycyclobutyl)acetate

Structural Information

Molecular Formula

C₈H₁₄O₃

SMILES

CCOC(=O)CC1CC(C1)O

InChI

InChI=1S/C8H14O3/c1-2-11-8(10)5-6-3-7(9)4-6/h6-7,9H,2-5H2,1H3

InChIKey

AVEZUPSKZQQURH-UHFFFAOYSA-N

Compound name

ethyl 2-(3-hydroxycyclobutyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 158.0943 Da
Monoisotopic Mass: 0.5
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]+	159.101576	132.6
[M+Na]+	181.083518	137.6
[M-H]-	157.087024	134.7
[M+NH4]+	176.128123	146.4
[M+K]+	197.057458	140.3
[M+H-H2O]+	141.091560	122.7
[M+HCOO]-	203.092501	152.4
[M+CH3COO]-	217.108151	178.5
[M+Na-2H]-	179.068966	136.0
[M]+	158.09375142	141.7
[M]-	158.09484858	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe