CID 62532

Decyl dihydrogen phosphate

Structural Information

Molecular Formula

C₁₀H₂₃O₄P

SMILES

CCCCCCCCCCOP(=O)(O)O

InChI

InChI=1S/C10H23O4P/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H2,11,12,13)

InChIKey

SCIGVHCNNXTQDB-UHFFFAOYSA-N

Compound name

decyl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 3657
Patents: 238.13339 Da
Monoisotopic Mass: 2.9
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	161.9
[M+Na]+	261.12261	166.7
[M-H]-	237.12611	157.5
[M+NH4]+	256.16721	178.9
[M+K]+	277.09655	165.0
[M+H-H2O]+	221.13065	154.7
[M+HCOO]-	283.13159	186.0
[M+CH3COO]-	297.14724	188.5
[M+Na-2H]-	259.10806	163.0
[M]+	238.13284	167.1
[M]-	238.13394	167.1

Literature stripe

literature stripe

Patent stripe

patents stripe