CID 79026

493-03-8

Structural Information

Molecular Formula

C₁₀H₁₆

SMILES

C1CCC2=C(C1)CCCC2

InChI

InChI=1S/C10H16/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H2

InChIKey

ZKZCHOVDCNLSKG-UHFFFAOYSA-N

Compound name

1,2,3,4,5,6,7,8-octahydronaphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 314
Patents: 136.1252 Da
Monoisotopic Mass: 2.9
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]+	137.132476	128.8
[M+Na]+	159.114418	133.0
[M-H]-	135.117924	132.0
[M+NH4]+	154.159023	151.3
[M+K]+	175.088358	131.0
[M+H-H2O]+	119.122460	123.1
[M+HCOO]-	181.123401	147.2
[M+CH3COO]-	195.139051	141.3
[M+Na-2H]-	157.099866	135.7
[M]+	136.12465142	122.0
[M]-	136.12574858	122.0

Literature stripe

literature stripe

Patent stripe

patents stripe