CID 3481851

Ent-17-hydroxy-16beta-kauran-19-al

Structural Information

Molecular Formula

C₂₀H₃₂O₂

SMILES

CC1(CCCC2(C1CCC34C2CCC(C3)C(C4)CO)C)C=O

InChI

InChI=1S/C20H32O2/c1-18(13-22)7-3-8-19(2)16(18)6-9-20-10-14(4-5-17(19)20)15(11-20)12-21/h13-17,21H,3-12H2,1-2H3

InChIKey

ACXLVKYMISNUFD-UHFFFAOYSA-N

Compound name

14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 0
Patents: 304.24023 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]+	305.247506	178.1
[M+Na]+	327.229448	182.4
[M-H]-	303.232954	179.9
[M+NH4]+	322.274053	202.9
[M+K]+	343.203388	176.4
[M+H-H2O]+	287.237490	171.6
[M+HCOO]-	349.238431	185.9
[M+CH3COO]-	363.254081	186.4
[M+Na-2H]-	325.214896	179.3
[M]+	304.23968142	171.3
[M]-	304.24077858	171.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.