CID 374943

Nsc653555

Structural Information

Molecular Formula

C₁₁H₂₆O₆P₂

SMILES

CCOP(=O)(CC(C)P(=O)(OCC)OCC)OCC

InChI

InChI=1S/C11H26O6P2/c1-6-14-18(12,15-7-2)10-11(5)19(13,16-8-3)17-9-4/h11H,6-10H2,1-5H3

InChIKey

HJGBGITVOMBUNF-UHFFFAOYSA-N

Compound name

1,2-bis(diethoxyphosphoryl)propane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 316.12045 Da
Monoisotopic Mass: 0.6
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]+	317.12773	178.9
[M+Na]+	339.10967	183.5
[M-H]-	315.11317	174.0
[M+NH4]+	334.15427	183.8
[M+K]+	355.08361	185.2
[M+H-H2O]+	299.11771	169.2
[M+HCOO]-	361.11865	197.7
[M+CH3COO]-	375.13430	208.3
[M+Na-2H]-	337.09512	178.9
[M]+	316.11990	178.1
[M]-	316.12100	178.1

Literature stripe

literature stripe

Patent stripe

patents stripe