CID 15670506

1195-81-9

Structural Information

Molecular Formula

C₈H₁₄O₃

SMILES

CCOC(=O)C1(CCC1)CO

InChI

InChI=1S/C8H14O3/c1-2-11-7(10)8(6-9)4-3-5-8/h9H,2-6H2,1H3

InChIKey

PWMQFMMZBJUHID-UHFFFAOYSA-N

Compound name

ethyl 1-(hydroxymethyl)cyclobutane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 204
Patents: 158.0943 Da
Monoisotopic Mass: 0.6
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]+	159.10158	134.4
[M+Na]+	181.08352	139.4
[M-H]-	157.08702	136.6
[M+NH4]+	176.12812	149.9
[M+K]+	197.05746	142.1
[M+H-H2O]+	141.09156	125.6
[M+HCOO]-	203.09250	154.2
[M+CH3COO]-	217.10815	176.9
[M+Na-2H]-	179.06897	139.4
[M]+	158.09375	143.4
[M]-	158.09485	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe