CID 24883448

(r,r)-chrysanthemyl diphosphate(3-)

Structural Information

Molecular Formula
C10H20O7P2
SMILES
CC(=C[C@@H]1[C@H](C1(C)C)COP(=O)(O)OP(=O)(O)O)C
InChI
InChI=1S/C10H20O7P2/c1-7(2)5-8-9(10(8,3)4)6-16-19(14,15)17-18(11,12)13/h5,8-9H,6H2,1-4H3,(H,14,15)(H2,11,12,13)/t8-,9-/m1/s1
InChIKey
AORLUAKWVIEOLL-RKDXNWHRSA-N
Compound name
[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

314.06842 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.07570 172.2
[M+Na]+ 337.05764 178.5
[M+NH4]+ 332.10224 176.2
[M+K]+ 353.03158 178.2
[M-H]- 313.06114 173.4
[M+Na-2H]- 335.04309 174.0
[M]+ 314.06787 174.0
[M]- 314.06897 174.0
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.