CID 12406

Pentacosane

Structural Information

Molecular Formula

C₂₅H₅₂

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C25H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-25H2,1-2H3

InChIKey

YKNWIILGEFFOPE-UHFFFAOYSA-N

Compound name

pentacosane

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 36
References: 7136
Patents: 352.4069 Da
Monoisotopic Mass: 13.1
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]+	353.41418	204.3
[M+Na]+	375.39612	203.7
[M-H]-	351.39962	201.0
[M+NH4]+	370.44072	217.8
[M+K]+	391.37006	198.4
[M+H-H2O]+	335.40416	196.4
[M+HCOO]-	397.40510	221.8
[M+CH3COO]-	411.42075	224.5
[M+Na-2H]-	373.38157	201.2
[M]+	352.40635	212.9
[M]-	352.40745	212.9

Literature stripe

literature stripe

Patent stripe

patents stripe