CID 76589

3138-42-9

Structural Information

Molecular Formula

C₁₀H₂₃O₄P

SMILES

CCCCCOP(=O)(O)OCCCCC

InChI

InChI=1S/C10H23O4P/c1-3-5-7-9-13-15(11,12)14-10-8-6-4-2/h3-10H2,1-2H3,(H,11,12)

InChIKey

WJZUIWBZDGBLKK-UHFFFAOYSA-N

Compound name

dipentyl hydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1343
Patents: 238.13339 Da
Monoisotopic Mass: 2.6
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]+	239.14067	160.9
[M+Na]+	261.12261	166.2
[M-H]-	237.12611	157.9
[M+NH4]+	256.16721	178.7
[M+K]+	277.09655	165.4
[M+H-H2O]+	221.13065	153.5
[M+HCOO]-	283.13159	186.6
[M+CH3COO]-	297.14724	191.1
[M+Na-2H]-	259.10806	162.6
[M]+	238.13284	168.1
[M]-	238.13394	168.1

Literature stripe

literature stripe

Patent stripe

patents stripe