CID 106244

1-nonanol, 8-methyl-, hydrogen phosphate

Structural Information

Molecular Formula

C₂₀H₄₃O₄P

SMILES

CC(C)CCCCCCCOP(=O)(O)OCCCCCCCC(C)C

InChI

InChI=1S/C20H43O4P/c1-19(2)15-11-7-5-9-13-17-23-25(21,22)24-18-14-10-6-8-12-16-20(3)4/h19-20H,5-18H2,1-4H3,(H,21,22)

InChIKey

IAONKHJEAQWGBJ-UHFFFAOYSA-N

Compound name

bis(8-methylnonyl) hydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 493
Patents: 378.2899 Da
Monoisotopic Mass: 7.4
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]+	379.29718	199.7
[M+Na]+	401.27912	204.2
[M+NH4]+	396.32372	208.1
[M+K]+	417.25306	204.0
[M-H]-	377.28262	195.3
[M+Na-2H]-	399.26457	196.9
[M]+	378.28935	198.5
[M]-	378.29045	198.5

Literature stripe

literature stripe

Patent stripe

patents stripe