CID 22235159

(2-methyloxan-4-yl)methanol

Structural Information

Molecular Formula

C₇H₁₄O₂

SMILES

CC1CC(CCO1)CO

InChI

InChI=1S/C7H14O2/c1-6-4-7(5-8)2-3-9-6/h6-8H,2-5H2,1H3

InChIKey

GHJBUFCOONHXFD-UHFFFAOYSA-N

Compound name

(2-methyloxan-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 130.09938 Da
Monoisotopic Mass: 0.6
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]+	131.10666	126.5
[M+Na]+	153.08860	137.5
[M+NH4]+	148.13320	135.4
[M+K]+	169.06254	132.3
[M-H]-	129.09210	129.4
[M+Na-2H]-	151.07405	131.0
[M]+	130.09883	128.7
[M]-	130.09993	128.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe