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]+ 303.11208 174.5
[M+Na]+ 325.09402 180.1
[M-H]- 301.09752 169.2
[M+NH4]+ 320.13862 178.6
[M+K]+ 341.06796 181.1
[M+H-H2O]+ 285.10206 164.8
[M+HCOO]- 347.10300 196.8
[M+CH3COO]- 361.11865 204.6
[M+Na-2H]- 323.07947 176.1
[M]+ 302.10425 186.8
[M]- 302.10535 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.