CID 12617238

30804-00-3

Structural Information

Molecular Formula

C₆H₁₂O₂

SMILES

CCOC1CC(C1)O

InChI

InChI=1S/C6H12O2/c1-2-8-6-3-5(7)4-6/h5-7H,2-4H2,1H3

InChIKey

QZQDATNTJZMTMH-UHFFFAOYSA-N

Compound name

3-ethoxycyclobutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 116.08373 Da
Monoisotopic Mass: 0.4
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	120.0
[M+Na]+	139.07295	126.0
[M-H]-	115.07645	122.4
[M+NH4]+	134.11755	135.7
[M+K]+	155.04689	128.8
[M+H-H2O]+	99.080990	110.7
[M+HCOO]-	161.08193	141.1
[M+CH3COO]-	175.09758	171.3
[M+Na-2H]-	137.05840	125.9
[M]+	116.08318	128.4
[M]-	116.08428	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe