CID 16071112

(r)-lavandulyl diphosphate

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

314.06842 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.07570 167.2
[M+Na]+ 337.05764 171.8
[M-H]- 313.06114 167.8
[M+NH4]+ 332.10224 171.1
[M+K]+ 353.03158 163.5
[M+H-H2O]+ 297.06568 165.7
[M+HCOO]- 359.06662 179.7
[M+CH3COO]- 373.08227 199.0
[M+Na-2H]- 335.04309 171.5
[M]+ 314.06787 164.1
[M]- 314.06897 164.1
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.