CID 14285716

(-)-sacculatal

Structural Information

Molecular Formula

C₂₀H₃₀O₂

SMILES

CC(=CCC[C@@]1(CCC[C@]2([C@H]1CC=C([C@@H]2C=O)C=O)C)C)C

InChI

InChI=1S/C20H30O2/c1-15(2)7-5-10-19(3)11-6-12-20(4)17(14-22)16(13-21)8-9-18(19)20/h7-8,13-14,17-18H,5-6,9-12H2,1-4H3/t17-,18-,19+,20+/m0/s1

InChIKey

CJRSLLMDIKKFIM-VNTMZGSJSA-N

Compound name

(1R,4aS,5S,8aS)-5,8a-dimethyl-5-(4-methylpent-3-enyl)-1,4,4a,6,7,8-hexahydronaphthalene-1,2-dicarbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 302.22458 Da
Monoisotopic Mass: 5.2
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]+	303.231856	173.2
[M+Na]+	325.213798	178.6
[M-H]-	301.217304	176.4
[M+NH4]+	320.258403	193.6
[M+K]+	341.187738	174.4
[M+H-H2O]+	285.221840	167.8
[M+HCOO]-	347.222781	188.0
[M+CH3COO]-	361.238431	207.7
[M+Na-2H]-	323.199246	174.1
[M]+	302.22403142	171.9
[M]-	302.22512858	171.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.