CID 114070

63704-58-5

Structural Information

Molecular Formula
C11H26O7P2
SMILES
CCOP(=O)(OC(C)C)OP(=O)(OC(C)C)OC(C)C
InChI
InChI=1S/C11H26O7P2/c1-8-14-19(12,15-9(2)3)18-20(13,16-10(4)5)17-11(6)7/h9-11H,8H2,1-7H3
InChIKey
AIUIOLZIJLZPNQ-UHFFFAOYSA-N
Compound name
di(propan-2-yloxy)phosphoryl ethyl propan-2-yl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1154 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.12268 181.0
[M+Na]+ 355.10462 187.4
[M-H]- 331.10812 181.1
[M+NH4]+ 350.14922 191.0
[M+K]+ 371.07856 180.1
[M+H-H2O]+ 315.11266 168.6
[M+HCOO]- 377.11360 196.4
[M+CH3COO]- 391.12925 211.9
[M+Na-2H]- 353.09007 171.2
[M]+ 332.11485 182.1
[M]- 332.11595 182.1
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.