CID 20659

4537-13-7

Structural Information

Molecular Formula

C₁₆H₂₆

SMILES

CCCCCCCCC(C)C1=CC=CC=C1

InChI

InChI=1S/C16H26/c1-3-4-5-6-7-9-12-15(2)16-13-10-8-11-14-16/h8,10-11,13-15H,3-7,9,12H2,1-2H3

InChIKey

DDTJIQUCOLHYDL-UHFFFAOYSA-N

Compound name

decan-2-ylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 158
Patents: 218.20345 Da
Monoisotopic Mass: 6.8
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]+	219.210726	156.7
[M+Na]+	241.192668	160.9
[M-H]-	217.196174	159.0
[M+NH4]+	236.237273	175.2
[M+K]+	257.166608	157.7
[M+H-H2O]+	201.200710	150.0
[M+HCOO]-	263.201651	177.9
[M+CH3COO]-	277.217301	193.5
[M+Na-2H]-	239.178116	159.9
[M]+	218.20290142	158.5
[M]-	218.20399858	158.5

Literature stripe

literature stripe

Patent stripe

patents stripe