CID 98976

5-methyltetradecane

Structural Information

Molecular Formula

C₁₅H₃₂

SMILES

CCCCCCCCCC(C)CCCC

InChI

InChI=1S/C15H32/c1-4-6-8-9-10-11-12-14-15(3)13-7-5-2/h15H,4-14H2,1-3H3

InChIKey

SQKZZFHVQCSUHZ-UHFFFAOYSA-N

Compound name

5-methyltetradecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 279
Patents: 212.2504 Da
Monoisotopic Mass: 8.1
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]+	213.257676	160.6
[M+Na]+	235.239618	163.9
[M-H]-	211.243124	159.4
[M+NH4]+	230.284223	179.7
[M+K]+	251.213558	161.9
[M+H-H2O]+	195.247660	154.8
[M+HCOO]-	257.248601	180.5
[M+CH3COO]-	271.264251	195.5
[M+Na-2H]-	233.225066	161.6
[M]+	212.24985142	164.7
[M]-	212.25094858	164.7

Literature stripe

literature stripe

Patent stripe

patents stripe