CID 3020668

85392-28-5

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CCC1=COC(CC1)(CC)CO

InChI

InChI=1S/C10H18O2/c1-3-9-5-6-10(4-2,8-11)12-7-9/h7,11H,3-6,8H2,1-2H3

InChIKey

IHEGBLXFHBDDSW-UHFFFAOYSA-N

Compound name

(2,5-diethyl-3,4-dihydropyran-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 170.13068 Da
Monoisotopic Mass: 1.6
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]+	171.137956	137.8
[M+Na]+	193.119898	144.2
[M-H]-	169.123404	140.5
[M+NH4]+	188.164503	158.6
[M+K]+	209.093838	144.0
[M+H-H2O]+	153.127940	133.3
[M+HCOO]-	215.128881	157.3
[M+CH3COO]-	229.144531	177.1
[M+Na-2H]-	191.105346	144.6
[M]+	170.13013142	137.6
[M]-	170.13122858	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe