CID 76350

3001-98-7

Structural Information

Molecular Formula
C7H14O6P2
SMILES
CP1(=O)OCC2(CO1)COP(=O)(OC2)C
InChI
InChI=1S/C7H14O6P2/c1-14(8)10-3-7(4-11-14)5-12-15(2,9)13-6-7/h3-6H2,1-2H3
InChIKey
ACRCGKKNPOZIPG-UHFFFAOYSA-N
Compound name
3,9-dimethyl-2,4,8,10-tetraoxa-3lambda5,9lambda5-diphosphaspiro[5.5]undecane 3,9-dioxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

139
Patents

256.02655 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.03383 150.9
[M+Na]+ 279.01577 160.1
[M+NH4]+ 274.06037 160.8
[M+K]+ 294.98971 152.9
[M-H]- 255.01927 156.2
[M+Na-2H]- 277.00122 156.1
[M]+ 256.02600 153.8
[M]- 256.02710 153.8
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