CID 5317426

Furanoeremophilane

Structural Information

Molecular Formula

C₁₅H₂₂O

SMILES

CC1CCCC2C1(CC3=C(C2)OC=C3C)C

InChI

InChI=1S/C15H22O/c1-10-9-16-14-7-12-6-4-5-11(2)15(12,3)8-13(10)14/h9,11-12H,4-8H2,1-3H3

InChIKey

LCYZOSVRKHROOX-UHFFFAOYSA-N

Compound name

3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 14
Patents: 218.16707 Da
Monoisotopic Mass: 4.8
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]+	219.17435	150.7
[M+Na]+	241.15629	158.2
[M-H]-	217.15979	156.3
[M+NH4]+	236.20089	174.3
[M+K]+	257.13023	155.5
[M+H-H2O]+	201.16433	145.6
[M+HCOO]-	263.16527	167.2
[M+CH3COO]-	277.18092	163.4
[M+Na-2H]-	239.14174	154.9
[M]+	218.16652	148.6
[M]-	218.16762	148.6

Literature stripe

literature stripe

Patent stripe

patents stripe