CID 4488726

48074-47-1

Structural Information

Molecular Formula
C14H30O6P2
SMILES
CC(C)OP(=O)(C(=C)P(=O)(OC(C)C)OC(C)C)OC(C)C
InChI
InChI=1S/C14H30O6P2/c1-10(2)17-21(15,18-11(3)4)14(9)22(16,19-12(5)6)20-13(7)8/h10-13H,9H2,1-8H3
InChIKey
IPUAADANTWKVJD-UHFFFAOYSA-N
Compound name
2-[1-di(propan-2-yloxy)phosphorylethenyl-propan-2-yloxyphosphoryl]oxypropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

99
Patents

356.15176 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.15904 185.0
[M+Na]+ 379.14098 192.9
[M-H]- 355.14448 187.1
[M+NH4]+ 374.18558 197.7
[M+K]+ 395.11492 187.7
[M+H-H2O]+ 339.14902 173.4
[M+HCOO]- 401.14996 195.4
[M+CH3COO]- 415.16561 219.2
[M+Na-2H]- 377.12643 176.2
[M]+ 356.15121 186.1
[M]- 356.15231 186.1
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

patents stripe