CID 96444

63886-51-1

Structural Information

Molecular Formula
C10H24O6P2
SMILES
CCCCP(=O)(OCC)OP(=O)(OCC)OCC
InChI
InChI=1S/C10H24O6P2/c1-5-9-10-17(11,13-6-2)16-18(12,14-7-3)15-8-4/h5-10H2,1-4H3
InChIKey
IMAZMHCGEUDCNH-UHFFFAOYSA-N
Compound name
[butyl(ethoxy)phosphoryl] diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1048 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.112076 174.5
[M+Na]+ 325.094018 180.1
[M-H]- 301.097524 169.2
[M+NH4]+ 320.138623 178.6
[M+K]+ 341.067958 181.1
[M+H-H2O]+ 285.102060 164.8
[M+HCOO]- 347.103001 196.8
[M+CH3COO]- 361.118651 204.6
[M+Na-2H]- 323.079466 176.1
[M]+ 302.10425142 186.8
[M]- 302.10534858 186.8
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.