CID 3020015

2,5-diethyltetrahydro-2h-pyran-2-methanol

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

CCC1CCC(OC1)(CC)CO

InChI

InChI=1S/C10H20O2/c1-3-9-5-6-10(4-2,8-11)12-7-9/h9,11H,3-8H2,1-2H3

InChIKey

JNABADRJMWPQMU-UHFFFAOYSA-N

Compound name

(2,5-diethyloxan-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 172.14633 Da
Monoisotopic Mass: 1.8
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]+	173.153606	139.8
[M+Na]+	195.135548	145.2
[M-H]-	171.139054	142.1
[M+NH4]+	190.180153	160.3
[M+K]+	211.109488	145.1
[M+H-H2O]+	155.143590	135.3
[M+HCOO]-	217.144531	157.7
[M+CH3COO]-	231.160181	177.5
[M+Na-2H]-	193.120996	145.6
[M]+	172.14578142	138.1
[M]-	172.14687858	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe