CID 10080379

89791-47-9

Structural Information

Molecular Formula

C₆H₁₂O₂

SMILES

CC1CC(CCO1)O

InChI

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

InChIKey

ZHPKAPJNEIKPGV-UHFFFAOYSA-N

Compound name

2-methyloxan-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 227
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]+	117.091006	122.3
[M+Na]+	139.072948	128.4
[M-H]-	115.076454	124.9
[M+NH4]+	134.117553	143.0
[M+K]+	155.046888	129.0
[M+H-H2O]+	99.080990	117.6
[M+HCOO]-	161.081931	141.5
[M+CH3COO]-	175.097581	165.7
[M+Na-2H]-	137.058396	129.0
[M]+	116.08318142	118.8
[M]-	116.08427858	118.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe