CID 18626786

Schembl21670440

Structural Information

Molecular Formula

C₁₂H₂₅O₃P

SMILES

CCCCCCCCCCCCOP(=O)=O

InChI

InChI=1S/C12H25O3P/c1-2-3-4-5-6-7-8-9-10-11-12-15-16(13)14/h2-12H2,1H3

InChIKey

HNQZKSORBSIMCM-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 248.15413 Da
Monoisotopic Mass: 4.7
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]+	249.161406	164.8
[M+Na]+	271.143348	169.4
[M-H]-	247.146854	162.7
[M+NH4]+	266.187953	182.7
[M+K]+	287.117288	167.9
[M+H-H2O]+	231.151390	156.5
[M+HCOO]-	293.152331	191.8
[M+CH3COO]-	307.167981	197.3
[M+Na-2H]-	269.128796	163.6
[M]+	248.15358142	172.4
[M]-	248.15467858	172.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe