CID 530173

048b98mt5o

Structural Information

Molecular Formula

C₂₀H₄₂

SMILES

CCCCCCCCC(C)C(C)CCCCCCCC

InChI

InChI=1S/C20H42/c1-5-7-9-11-13-15-17-19(3)20(4)18-16-14-12-10-8-6-2/h19-20H,5-18H2,1-4H3

InChIKey

IZWHERZFONYXEC-UHFFFAOYSA-N

Compound name

9,10-dimethyloctadecane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 26
Patents: 282.32864 Da
Monoisotopic Mass: 10.5
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]+	283.33592	184.0
[M+Na]+	305.31786	185.1
[M-H]-	281.32136	181.9
[M+NH4]+	300.36246	200.3
[M+K]+	321.29180	182.0
[M+H-H2O]+	265.32590	177.4
[M+HCOO]-	327.32684	201.2
[M+CH3COO]-	341.34249	211.2
[M+Na-2H]-	303.30331	181.0
[M]+	282.32809	189.3
[M]-	282.32919	189.3

Literature stripe

literature stripe

Patent stripe

patents stripe