CID 521066

Edulan i

Structural Information

Molecular Formula

C₁₃H₂₀O

SMILES

CC1CC=C2C(CC=CC2(O1)C)(C)C

InChI

InChI=1S/C13H20O/c1-10-6-7-11-12(2,3)8-5-9-13(11,4)14-10/h5,7,9-10H,6,8H2,1-4H3

InChIKey

HUXGOQHTDHIKSS-UHFFFAOYSA-N

Compound name

2,5,5,8a-tetramethyl-3,6-dihydro-2H-chromene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 192.15141 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]+	193.15869	141.6
[M+Na]+	215.14063	149.7
[M-H]-	191.14413	147.0
[M+NH4]+	210.18523	165.5
[M+K]+	231.11457	148.8
[M+H-H2O]+	175.14867	136.8
[M+HCOO]-	237.14961	159.8
[M+CH3COO]-	251.16526	185.4
[M+Na-2H]-	213.12608	149.7
[M]+	192.15086	140.9
[M]-	192.15196	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe