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: 20456
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]+	117.09101	119.8
[M+Na]+	139.07295	125.8
[M-H]-	115.07645	123.0
[M+NH4]+	134.11755	136.0
[M+K]+	155.04689	129.6
[M+H-H2O]+	99.080990	111.7
[M+HCOO]-	161.08193	140.1
[M+CH3COO]-	175.09758	169.7
[M+Na-2H]-	137.05840	128.6
[M]+	116.08318	128.8
[M]-	116.08428	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe