CID 12389

Tetradecane

Structural Information

Molecular Formula

C₁₄H₃₀

SMILES

CCCCCCCCCCCCCC

InChI

InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3

InChIKey

BGHCVCJVXZWKCC-UHFFFAOYSA-N

Compound name

tetradecane

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 454
References: 102337
Patents: 198.23476 Da
Monoisotopic Mass: 7.2
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]+	199.242036	155.3
[M+Na]+	221.223978	159.2
[M-H]-	197.227484	154.1
[M+NH4]+	216.268583	175.0
[M+K]+	237.197918	157.0
[M+H-H2O]+	181.232020	149.6
[M+HCOO]-	243.232961	176.5
[M+CH3COO]-	257.248611	191.7
[M+Na-2H]-	219.209426	158.2
[M]+	198.23421142	159.7
[M]-	198.23530858	159.7

Literature stripe

literature stripe

Patent stripe

patents stripe