CID 22224238

11-methylheneicosane

Structural Information

Molecular Formula

C₂₂H₄₆

SMILES

CCCCCCCCCCC(C)CCCCCCCCCC

InChI

InChI=1S/C22H46/c1-4-6-8-10-12-14-16-18-20-22(3)21-19-17-15-13-11-9-7-5-2/h22H,4-21H2,1-3H3

InChIKey

XEMLUFXZVVNCKA-UHFFFAOYSA-N

Compound name

11-methylhenicosane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 310.35995 Da
Monoisotopic Mass: 11.8
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]+	311.36723	192.3
[M+Na]+	333.34917	192.7
[M-H]-	309.35267	189.7
[M+NH4]+	328.39377	207.4
[M+K]+	349.32311	188.7
[M+H-H2O]+	293.35721	185.1
[M+HCOO]-	355.35815	209.8
[M+CH3COO]-	369.37380	216.3
[M+Na-2H]-	331.33462	189.5
[M]+	310.35940	199.0
[M]-	310.36050	199.0

Literature stripe

literature stripe

Patent stripe

patents stripe