CID 21606187

Linden ether

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

CC1=CC2C(=C(CO2)C)CC1

InChI

InChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h5,10H,3-4,6H2,1-2H3

InChIKey

NDGVBBGSPLJJRM-UHFFFAOYSA-N

Compound name

3,6-dimethyl-2,4,5,7a-tetrahydro-1-benzofuran

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 58
Patents: 150.10446 Da
Monoisotopic Mass: 0.8
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]+	151.11174	130.1
[M+Na]+	173.09368	142.8
[M+NH4]+	168.13828	140.6
[M+K]+	189.06762	137.9
[M-H]-	149.09718	134.4
[M+Na-2H]-	171.07913	135.2
[M]+	150.10391	133.2
[M]-	150.10501	133.2

Literature stripe

literature stripe

Patent stripe

patents stripe