CID 76444

3-ethyl-3-oxetanemethanol

Structural Information

Molecular Formula

C₆H₁₂O₂

SMILES

CCC1(COC1)CO

InChI

InChI=1S/C6H12O2/c1-2-6(3-7)4-8-5-6/h7H,2-5H2,1H3

InChIKey

UNMJLQGKEDTEKJ-UHFFFAOYSA-N

Compound name

(3-ethyloxetan-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 16974
Patents: 116.08373 Da
Monoisotopic Mass: 0.2
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]+	117.091006	119.8
[M+Na]+	139.072948	125.8
[M-H]-	115.076454	123.0
[M+NH4]+	134.117553	136.0
[M+K]+	155.046888	129.6
[M+H-H2O]+	99.080990	111.7
[M+HCOO]-	161.081931	140.1
[M+CH3COO]-	175.097581	169.7
[M+Na-2H]-	137.058396	128.6
[M]+	116.08318142	128.8
[M]-	116.08427858	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe