CID 7524

Tetrahydropyran-2-methanol

Structural Information

Molecular Formula

C₆H₁₂O₂

SMILES

C1CCOC(C1)CO

InChI

InChI=1S/C6H12O2/c7-5-6-3-1-2-4-8-6/h6-7H,1-5H2

InChIKey

ROTONRWJLXYJBD-UHFFFAOYSA-N

Compound name

oxan-2-ylmethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 2481
Patents: 116.08373 Da
Monoisotopic Mass: 0.3
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	122.7
[M+Na]+	139.072948	127.8
[M-H]-	115.076454	124.9
[M+NH4]+	134.117553	143.1
[M+K]+	155.046888	128.5
[M+H-H2O]+	99.080990	117.8
[M+HCOO]-	161.081931	142.0
[M+CH3COO]-	175.097581	164.6
[M+Na-2H]-	137.058396	130.1
[M]+	116.08318142	118.8
[M]-	116.08427858	118.8

Literature stripe

literature stripe

Patent stripe

patents stripe