CID 94249

2-methyldecalin

Structural Information

Molecular Formula

C₁₁H₂₀

SMILES

CC1CCC2CCCCC2C1

InChI

InChI=1S/C11H20/c1-9-6-7-10-4-2-3-5-11(10)8-9/h9-11H,2-8H2,1H3

InChIKey

GREARFRXIFVLGB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 389
Patents: 152.1565 Da
Monoisotopic Mass: 4.9
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]+	153.16378	135.2
[M+Na]+	175.14572	138.9
[M-H]-	151.14922	138.2
[M+NH4]+	170.19032	157.2
[M+K]+	191.11966	136.8
[M+H-H2O]+	135.15376	129.6
[M+HCOO]-	197.15470	151.7
[M+CH3COO]-	211.17035	177.8
[M+Na-2H]-	173.13117	139.8
[M]+	152.15595	127.6
[M]-	152.15705	127.6

Literature stripe

literature stripe

Patent stripe

patents stripe