CID 237522

2-n-butyldecahydronaphthalene

Structural Information

Molecular Formula

C₁₄H₂₆

SMILES

CCCCC1CCC2CCCCC2C1

InChI

InChI=1S/C14H26/c1-2-3-6-12-9-10-13-7-4-5-8-14(13)11-12/h12-14H,2-11H2,1H3

InChIKey

VYMIQGUNEIJWAR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 194.20345 Da
Monoisotopic Mass: 6.5
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]+	195.210726	149.1
[M+Na]+	217.192668	151.4
[M-H]-	193.196174	151.4
[M+NH4]+	212.237273	169.3
[M+K]+	233.166608	148.6
[M+H-H2O]+	177.200710	142.7
[M+HCOO]-	239.201651	164.5
[M+CH3COO]-	253.217301	186.9
[M+Na-2H]-	215.178116	151.9
[M]+	194.20290142	142.5
[M]-	194.20399858	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe