CID 20641

3-phenyltetradecane

Structural Information

Molecular Formula

C₂₀H₃₄

SMILES

CCCCCCCCCCCC(CC)C1=CC=CC=C1

InChI

InChI=1S/C20H34/c1-3-5-6-7-8-9-10-11-13-16-19(4-2)20-17-14-12-15-18-20/h12,14-15,17-19H,3-11,13,16H2,1-2H3

InChIKey

ILOABSZOHZMWLD-UHFFFAOYSA-N

Compound name

tetradecan-3-ylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 274.26605 Da
Monoisotopic Mass: 9.0
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]+	275.273326	175.2
[M+Na]+	297.255268	177.6
[M-H]-	273.258774	176.7
[M+NH4]+	292.299873	191.4
[M+K]+	313.229208	173.4
[M+H-H2O]+	257.263310	167.6
[M+HCOO]-	319.264251	195.0
[M+CH3COO]-	333.279901	205.5
[M+Na-2H]-	295.240716	176.1
[M]+	274.26550142	178.4
[M]-	274.26659858	178.4

Literature stripe

literature stripe

Patent stripe

patents stripe