CID 15099962

124788-09-6

Structural Information

Molecular Formula
C12H26O6P2
SMILES
CC(C)CP1(=O)C(C(P(=O)(C(C1O)O)CC(C)C)O)O
InChI
InChI=1S/C12H26O6P2/c1-7(2)5-19(17)9(13)11(15)20(18,6-8(3)4)12(16)10(19)14/h7-16H,5-6H2,1-4H3
InChIKey
YLYUAJJICVNRHL-UHFFFAOYSA-N
Compound name
1,4-bis(2-methylpropyl)-1,4-dioxo-1lambda5,4lambda5-diphosphinane-2,3,5,6-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

328.12045 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.12773 171.7
[M+Na]+ 351.10967 177.9
[M-H]- 327.11317 167.8
[M+NH4]+ 346.15427 188.7
[M+K]+ 367.08361 176.7
[M+H-H2O]+ 311.11771 165.3
[M+HCOO]- 373.11865 194.3
[M+CH3COO]- 387.13430 204.4
[M+Na-2H]- 349.09512 165.8
[M]+ 328.11990 172.8
[M]- 328.12100 172.8
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

patents stripe