CID 5008778

24565-09-1

Structural Information

Molecular Formula

C₂₂H₄₇OP

SMILES

CCCCCCCCCCCCCCCCCCCCP(=O)(C)C

InChI

InChI=1S/C22H47OP/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(2,3)23/h4-22H2,1-3H3

InChIKey

AXGURKDDROHGQI-UHFFFAOYSA-N

Compound name

1-dimethylphosphorylicosane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 358.33646 Da
Monoisotopic Mass: 9.3
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]+	359.34374	208.2
[M+Na]+	381.32568	209.2
[M-H]-	357.32918	204.5
[M+NH4]+	376.37028	222.1
[M+K]+	397.29962	204.7
[M+H-H2O]+	341.33372	198.9
[M+HCOO]-	403.33466	230.6
[M+CH3COO]-	417.35031	224.1
[M+Na-2H]-	379.31113	203.5
[M]+	358.33591	217.7
[M]-	358.33701	217.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe