CID 13856096

(3r)-linalyl diphosphate

Structural Information

Molecular Formula
C10H20O7P2
SMILES
CC(=CCC[C@](C)(C=C)OP(=O)(O)OP(=O)(O)O)C
InChI
InChI=1S/C10H20O7P2/c1-5-10(4,8-6-7-9(2)3)16-19(14,15)17-18(11,12)13/h5,7H,1,6,8H2,2-4H3,(H,14,15)(H2,11,12,13)/t10-/m0/s1
InChIKey
UOJPTUWXHXNLDB-JTQLQIEISA-N
Compound name
[(3R)-3,7-dimethylocta-1,6-dien-3-yl] phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.06842 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.07570 163.3
[M+Na]+ 337.05764 166.8
[M-H]- 313.06114 163.6
[M+NH4]+ 332.10224 165.7
[M+K]+ 353.03158 158.9
[M+H-H2O]+ 297.06568 167.6
[M+HCOO]- 359.06662 181.4
[M+CH3COO]- 373.08227 197.9
[M+Na-2H]- 335.04309 177.0
[M]+ 314.06787 161.8
[M]- 314.06897 161.8
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

No patent data available for this compound.