CID 556518

Hop ether

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CC1(C2CCC(=C)C2CO1)C

InChI

InChI=1S/C10H16O/c1-7-4-5-9-8(7)6-11-10(9,2)3/h8-9H,1,4-6H2,2-3H3

InChIKey

PSYUARCNIZCTFI-UHFFFAOYSA-N

Compound name

3,3-dimethyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 152.12012 Da
Monoisotopic Mass: 1.6
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]+	153.12740	133.3
[M+Na]+	175.10934	141.6
[M-H]-	151.11284	138.4
[M+NH4]+	170.15394	160.0
[M+K]+	191.08328	140.4
[M+H-H2O]+	135.11738	130.2
[M+HCOO]-	197.11832	153.9
[M+CH3COO]-	211.13397	176.3
[M+Na-2H]-	173.09479	137.1
[M]+	152.11957	131.8
[M]-	152.12067	131.8

Literature stripe

literature stripe

Patent stripe

patents stripe