CID 98230

3-methyltetrahydrofuran

Structural Information

Molecular Formula

C₅H₁₀O

SMILES

CC1CCOC1

InChI

InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3

InChIKey

LJPCNSSTRWGCMZ-UHFFFAOYSA-N

Compound name

3-methyloxolane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 14130
Patents: 86.073166 Da
Monoisotopic Mass: 1.0
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	114.7
[M+Na]+	109.06238	121.6
[M-H]-	85.065890	118.7
[M+NH4]+	104.10699	138.9
[M+K]+	125.03632	123.0
[M+H-H2O]+	69.070426	110.3
[M+HCOO]-	131.07137	137.6
[M+CH3COO]-	145.08702	162.1
[M+Na-2H]-	107.04783	121.8
[M]+	86.072617	112.9
[M]-	86.073715	112.9

Literature stripe

literature stripe

Patent stripe

patents stripe