CID 16071112

(r)-lavandulyl diphosphate(3-)

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
1
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 170.3
[M+Na]+ 337.05764 172.9
[M+NH4]+ 332.10224 175.7
[M+K]+ 353.03158 169.0
[M-H]- 313.06114 168.1
[M+Na-2H]- 335.04309 165.8
[M]+ 314.06787 167.2
[M]- 314.06897 167.2
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.