CID 3045010

Brn 1596397

Structural Information

Molecular Formula

C₂₅H₃₈O₂

SMILES

CCCCCC(C)C(C)C1=CC(=C2C(=C1)OC(C3=C2C(CCC3)C)(C)C)O

InChI

InChI=1S/C25H38O2/c1-7-8-9-11-16(2)18(4)19-14-21(26)24-22(15-19)27-25(5,6)20-13-10-12-17(3)23(20)24/h14-18,26H,7-13H2,1-6H3

InChIKey

XOZQPDXSJUBMOT-UHFFFAOYSA-N

Compound name

6,6,10-trimethyl-3-(3-methyloctan-2-yl)-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 370.28717 Da
Monoisotopic Mass: 7.4
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]+	371.294446	196.6
[M+Na]+	393.276388	201.3
[M-H]-	369.279894	199.8
[M+NH4]+	388.320993	211.6
[M+K]+	409.250328	197.4
[M+H-H2O]+	353.284430	189.4
[M+HCOO]-	415.285371	206.5
[M+CH3COO]-	429.301021	224.2
[M+Na-2H]-	391.261836	194.9
[M]+	370.28662142	197.6
[M]-	370.28771858	197.6

Literature stripe

literature stripe

Patent stripe

patents stripe