CID 19913237

147768-39-6

Structural Information

Molecular Formula

C₁₀H₂₃O₃P

SMILES

CC(C)CP(=O)(CCCO)CCCO

InChI

InChI=1S/C10H23O3P/c1-10(2)9-14(13,7-3-5-11)8-4-6-12/h10-12H,3-9H2,1-2H3

InChIKey

RBOSLVRUYBQPOX-UHFFFAOYSA-N

Compound name

3-[3-hydroxypropyl(2-methylpropyl)phosphoryl]propan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 145
Patents: 222.13849 Da
Monoisotopic Mass: 0.1
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]+	223.14577	159.8
[M+Na]+	245.12771	164.5
[M-H]-	221.13121	155.5
[M+NH4]+	240.17231	177.5
[M+K]+	261.10165	162.8
[M+H-H2O]+	205.13575	153.0
[M+HCOO]-	267.13669	182.7
[M+CH3COO]-	281.15234	187.2
[M+Na-2H]-	243.11316	159.4
[M]+	222.13794	162.9
[M]-	222.13904	162.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe