CID 76706

Schembl9215852

Structural Information

Molecular Formula

C₂₀H₃₂O₂

SMILES

CC1=C(C(CCC1)(C)C)CC=C(C)C(C=CC(=CCO)C)O

InChI

InChI=1S/C20H32O2/c1-15(12-14-21)8-11-19(22)17(3)9-10-18-16(2)7-6-13-20(18,4)5/h8-9,11-12,19,21-22H,6-7,10,13-14H2,1-5H3

InChIKey

FRMVBNPEOHCJAG-UHFFFAOYSA-N

Compound name

3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,7-triene-1,6-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 304.24023 Da
Monoisotopic Mass: 4.6
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]+	305.247506	178.7
[M+Na]+	327.229448	181.7
[M-H]-	303.232954	178.2
[M+NH4]+	322.274053	194.6
[M+K]+	343.203388	176.9
[M+H-H2O]+	287.237490	173.9
[M+HCOO]-	349.238431	191.8
[M+CH3COO]-	363.254081	204.0
[M+Na-2H]-	325.214896	174.5
[M]+	304.23968142	175.8
[M]-	304.24077858	175.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe