CID 93790

71242-69-8

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CC12CCC(CC1O2)C(C)(C)O

InChI

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

InChIKey

HSMACHQZLSQBIN-UHFFFAOYSA-N

Compound name

2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 170.13068 Da
Monoisotopic Mass: 1.2
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]+	171.13796	138.5
[M+Na]+	193.11990	147.2
[M-H]-	169.12340	143.2
[M+NH4]+	188.16450	155.5
[M+K]+	209.09384	146.9
[M+H-H2O]+	153.12794	134.4
[M+HCOO]-	215.12888	154.4
[M+CH3COO]-	229.14453	181.3
[M+Na-2H]-	191.10535	147.0
[M]+	170.13013	140.6
[M]-	170.13123	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe