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

141
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 152.9
[M+Na]+ 279.01577 160.1
[M-H]- 255.01927 158.6
[M+NH4]+ 274.06037 171.1
[M+K]+ 294.98971 165.6
[M+H-H2O]+ 239.02381 144.1
[M+HCOO]- 301.02475 178.3
[M+CH3COO]- 315.04040 190.6
[M+Na-2H]- 277.00122 159.3
[M]+ 256.02600 155.3
[M]- 256.02710 155.3
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