CID 329983

Menthofuran

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

CC1CCC2=C(C1)OC=C2C

InChI

InChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h6-7H,3-5H2,1-2H3

InChIKey

YGWKXXYGDYYFJU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 75
References: 2878
Patents: 150.10446 Da
Monoisotopic Mass: 3.0
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	130.3
[M+Na]+	173.09368	138.7
[M-H]-	149.09718	135.6
[M+NH4]+	168.13828	153.7
[M+K]+	189.06762	137.7
[M+H-H2O]+	133.10172	125.8
[M+HCOO]-	195.10266	151.7
[M+CH3COO]-	209.11831	176.6
[M+Na-2H]-	171.07913	136.3
[M]+	150.10391	130.0
[M]-	150.10501	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe