CID 20635

3-phenyltridecane

Structural Information

Molecular Formula

C₁₉H₃₂

SMILES

CCCCCCCCCCC(CC)C1=CC=CC=C1

InChI

InChI=1S/C19H32/c1-3-5-6-7-8-9-10-12-15-18(4-2)19-16-13-11-14-17-19/h11,13-14,16-18H,3-10,12,15H2,1-2H3

InChIKey

VZZMNLVGDGMQQV-UHFFFAOYSA-N

Compound name

tridecan-3-ylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 15
Patents: 260.2504 Da
Monoisotopic Mass: 8.5
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]+	261.257676	170.6
[M+Na]+	283.239618	173.5
[M-H]-	259.243124	172.3
[M+NH4]+	278.284223	187.4
[M+K]+	299.213558	169.5
[M+H-H2O]+	243.247660	163.2
[M+HCOO]-	305.248601	190.8
[M+CH3COO]-	319.264251	202.5
[M+Na-2H]-	281.225066	172.1
[M]+	260.24985142	173.5
[M]-	260.25094858	173.5

Literature stripe

literature stripe

Patent stripe

patents stripe