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

literature stripe

Patent stripe

patents stripe