CID 31905

23438-68-8

Structural Information

Molecular Formula

C₁₂H₂₀O₂

SMILES

CC1CC2(CCCCC2(O1)O)CC=C

InChI

InChI=1S/C12H20O2/c1-3-6-11-7-4-5-8-12(11,13)14-10(2)9-11/h3,10,13H,1,4-9H2,2H3

InChIKey

SNQVWROKOBXPRI-UHFFFAOYSA-N

Compound name

2-methyl-3a-prop-2-enyl-2,3,4,5,6,7-hexahydro-1-benzofuran-7a-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 196.14633 Da
Monoisotopic Mass: 2.5
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]+	197.153606	145.1
[M+Na]+	219.135548	151.3
[M-H]-	195.139054	148.1
[M+NH4]+	214.180153	169.2
[M+K]+	235.109488	149.4
[M+H-H2O]+	179.143590	141.3
[M+HCOO]-	241.144531	161.6
[M+CH3COO]-	255.160181	180.2
[M+Na-2H]-	217.120996	150.5
[M]+	196.14578142	141.7
[M]-	196.14687858	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.