CID 360188

Furodysinin

Structural Information

Molecular Formula

C₁₅H₂₀O

SMILES

CC1=C[C@@H]2CC3=C(C=CO3)C([C@@H]2CC1)(C)C

InChI

InChI=1S/C15H20O/c1-10-4-5-12-11(8-10)9-14-13(6-7-16-14)15(12,2)3/h6-8,11-12H,4-5,9H2,1-3H3/t11-,12-/m1/s1

InChIKey

OSSOIKJYWQAIQR-VXGBXAGGSA-N

Compound name

(4aR,8aS)-4,4,7-trimethyl-5,6,8a,9-tetrahydro-4aH-benzo[f][1]benzofuran

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 216.15141 Da
Monoisotopic Mass: 3.9
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]+	217.15869	149.1
[M+Na]+	239.14063	157.7
[M-H]-	215.14413	155.1
[M+NH4]+	234.18523	172.9
[M+K]+	255.11457	154.8
[M+H-H2O]+	199.14867	144.0
[M+HCOO]-	261.14961	167.1
[M+CH3COO]-	275.16526	162.4
[M+Na-2H]-	237.12608	154.3
[M]+	216.15086	148.5
[M]-	216.15196	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe