CID 545651

Henicosyl formate

Structural Information

Molecular Formula

C₂₂H₄₄O₂

SMILES

CCCCCCCCCCCCCCCCCCCCCOC=O

InChI

InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-22-23/h22H,2-21H2,1H3

InChIKey

ZMGJNJFHZNMVCW-UHFFFAOYSA-N

Compound name

henicosyl formate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 340.33414 Da
Monoisotopic Mass: 10.6
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]+	341.34142	195.7
[M+Na]+	363.32336	196.5
[M-H]-	339.32686	192.9
[M+NH4]+	358.36796	209.4
[M+K]+	379.29730	192.4
[M+H-H2O]+	323.33140	188.0
[M+HCOO]-	385.33234	214.8
[M+CH3COO]-	399.34799	218.3
[M+Na-2H]-	361.30881	194.2
[M]+	340.33359	205.3
[M]-	340.33469	205.3

Literature stripe

literature stripe

Patent stripe

patents stripe