CID 7044

Decahydronaphthalene

Structural Information

Molecular Formula

C₁₀H₁₈

SMILES

C1CCC2CCCCC2C1

InChI

InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2

InChIKey

NNBZCPXTIHJBJL-UHFFFAOYSA-N

Compound name

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 385
References: 71440
Patents: 138.14085 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]+	139.14813	132.0
[M+Na]+	161.13007	143.2
[M+NH4]+	156.17467	143.2
[M+K]+	177.10401	135.3
[M-H]-	137.13357	135.8
[M+Na-2H]-	159.11552	137.6
[M]+	138.14030	134.6
[M]-	138.14140	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe