CID 15109998

Di-isoamylphosphoric acid

Structural Information

Molecular Formula

C₁₀H₂₃O₄P

SMILES

CC(C)CCOP(=O)(O)OCCC(C)C

InChI

InChI=1S/C10H23O4P/c1-9(2)5-7-13-15(11,12)14-8-6-10(3)4/h9-10H,5-8H2,1-4H3,(H,11,12)

InChIKey

PYKHKJJMHQLJOH-UHFFFAOYSA-N

Compound name

bis(3-methylbutyl) hydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 182
Patents: 238.13339 Da
Monoisotopic Mass: 2.4
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]+	239.14067	160.9
[M+Na]+	261.12261	165.7
[M-H]-	237.12611	158.1
[M+NH4]+	256.16721	178.6
[M+K]+	277.09655	166.0
[M+H-H2O]+	221.13065	153.7
[M+HCOO]-	283.13159	184.6
[M+CH3COO]-	297.14724	192.6
[M+Na-2H]-	259.10806	160.1
[M]+	238.13284	166.8
[M]-	238.13394	166.8

Literature stripe

literature stripe

Patent stripe

patents stripe