CID 22223822

9-methyldocosane

Structural Information

Molecular Formula

C₂₃H₄₈

SMILES

CCCCCCCCCCCCCC(C)CCCCCCCC

InChI

InChI=1S/C23H48/c1-4-6-8-10-12-13-14-15-16-18-20-22-23(3)21-19-17-11-9-7-5-2/h23H,4-22H2,1-3H3

InChIKey

ZCELPTJBINQNKO-UHFFFAOYSA-N

Compound name

9-methyldocosane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 324.3756 Da
Monoisotopic Mass: 12.4
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]+	325.38288	196.8
[M+Na]+	347.36482	196.7
[M-H]-	323.36832	193.9
[M+NH4]+	342.40942	211.3
[M+K]+	363.33876	192.5
[M+H-H2O]+	307.37286	189.4
[M+HCOO]-	369.37380	213.9
[M+CH3COO]-	383.38945	219.3
[M+Na-2H]-	345.35027	193.4
[M]+	324.37505	203.9
[M]-	324.37615	203.9

Literature stripe

literature stripe

Patent stripe

patents stripe