CID 24883448

(r,r)-chrysanthemyl diphosphate

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
3
Annotation Hits

3
References

31
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 170.0
[M+Na]+ 337.05764 178.1
[M-H]- 313.06114 168.7
[M+NH4]+ 332.10224 181.3
[M+K]+ 353.03158 176.1
[M+H-H2O]+ 297.06568 163.1
[M+HCOO]- 359.06662 195.2
[M+CH3COO]- 373.08227 201.6
[M+Na-2H]- 335.04309 170.9
[M]+ 314.06787 178.8
[M]- 314.06897 178.8
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

patents stripe