CID 14029

4100 bis hc

Structural Information

Molecular Formula
C6H16O6P2
SMILES
CCOP(=O)(OCC)OP(OC)OC
InChI
InChI=1S/C6H16O6P2/c1-5-10-14(7,11-6-2)12-13(8-3)9-4/h5-6H2,1-4H3
InChIKey
PUYLGTLIKPXPRP-UHFFFAOYSA-N
Compound name
dimethoxyphosphanyl diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.0422 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.049476 155.4
[M+Na]+ 269.031418 161.8
[M-H]- 245.034924 153.4
[M+NH4]+ 264.076023 173.8
[M+K]+ 285.005358 164.4
[M+H-H2O]+ 229.039460 145.8
[M+HCOO]- 291.040401 188.4
[M+CH3COO]- 305.056051 193.9
[M+Na-2H]- 267.016866 156.4
[M]+ 246.04165142 166.8
[M]- 246.04274858 166.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.