CID 21087750

Refchem:907316

Structural Information

Molecular Formula

C₂₄H₄₀O₃

SMILES

CCCCCCC(C)(C)C1=CC(=C(C(=C1)OC)C2(CCCC(C2)C)O)OC

InChI

InChI=1S/C24H40O3/c1-7-8-9-10-13-23(3,4)19-15-20(26-5)22(21(16-19)27-6)24(25)14-11-12-18(2)17-24/h15-16,18,25H,7-14,17H2,1-6H3

InChIKey

QRVATYZBDQGJCP-UHFFFAOYSA-N

Compound name

1-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-3-methylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 12
Patents: 376.29776 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]+	377.305036	196.6
[M+Na]+	399.286978	200.2
[M-H]-	375.290484	200.6
[M+NH4]+	394.331583	210.5
[M+K]+	415.260918	196.6
[M+H-H2O]+	359.295020	189.5
[M+HCOO]-	421.295961	210.7
[M+CH3COO]-	435.311611	221.2
[M+Na-2H]-	397.272426	195.6
[M]+	376.29721142	198.9
[M]-	376.29830858	198.9

Literature stripe

literature stripe

Patent stripe

patents stripe