CID 44464839

2h-pyran-4-ol, 2-(1-ethylpropyl)tetrahydro-4-methyl-

Structural Information

Molecular Formula

C₁₁H₂₂O₂

SMILES

CCC(CC)C1CC(CCO1)(C)O

InChI

InChI=1S/C11H22O2/c1-4-9(5-2)10-8-11(3,12)6-7-13-10/h9-10,12H,4-8H2,1-3H3

InChIKey

SGDHXQQFXPKEGL-UHFFFAOYSA-N

Compound name

4-methyl-2-pentan-3-yloxan-4-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 15
Patents: 186.16199 Da
Monoisotopic Mass: 2.2
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]+	187.169266	144.7
[M+Na]+	209.151208	149.4
[M-H]-	185.154714	146.9
[M+NH4]+	204.195813	164.6
[M+K]+	225.125148	149.5
[M+H-H2O]+	169.159250	140.1
[M+HCOO]-	231.160191	161.3
[M+CH3COO]-	245.175841	181.4
[M+Na-2H]-	207.136656	148.7
[M]+	186.16144142	142.8
[M]-	186.16253858	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe