CID 66937097

(4-methoxyoxan-4-yl)methanol

Structural Information

Molecular Formula

C₇H₁₄O₃

SMILES

COC1(CCOCC1)CO

InChI

InChI=1S/C7H14O3/c1-9-7(6-8)2-4-10-5-3-7/h8H,2-6H2,1H3

InChIKey

JWZUYOGFJJSUTH-UHFFFAOYSA-N

Compound name

(4-methoxyoxan-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 217
Patents: 146.0943 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]+	147.10158	130.3
[M+Na]+	169.08352	140.5
[M+NH4]+	164.12812	140.0
[M+K]+	185.05746	133.9
[M-H]-	145.08702	132.5
[M+Na-2H]-	167.06897	136.0
[M]+	146.09375	132.3
[M]-	146.09485	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe