CID 8894

Tetrahydropyran

Structural Information

Molecular Formula

C₅H₁₀O

SMILES

C1CCOCC1

InChI

InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2

InChIKey

DHXVGJBLRPWPCS-UHFFFAOYSA-N

Compound name

oxane

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 358
References: 154484
Patents: 86.073166 Da
Monoisotopic Mass: 0.9
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]+	87.080442	114.5
[M+Na]+	109.06238	119.5
[M-H]-	85.065890	118.0
[M+NH4]+	104.10699	136.5
[M+K]+	125.03632	121.0
[M+H-H2O]+	69.070426	109.5
[M+HCOO]-	131.07137	135.4
[M+CH3COO]-	145.08702	161.2
[M+Na-2H]-	107.04783	123.7
[M]+	86.072617	110.3
[M]-	86.073715	110.3

Literature stripe

literature stripe

Patent stripe

patents stripe