CID 194197

(+)-bornyl diphosphate

Structural Information

Molecular Formula
C10H20O7P2
SMILES
C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2OP(=O)(O)OP(=O)(O)O
InChI
InChI=1S/C10H20O7P2/c1-9(2)7-4-5-10(9,3)8(6-7)16-19(14,15)17-18(11,12)13/h7-8H,4-6H2,1-3H3,(H,14,15)(H2,11,12,13)/t7-,8+,10+/m1/s1
InChIKey
VZPAJODTZAAANV-WEDXCCLWSA-N
Compound name
phosphono [(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

90
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 163.3
[M+Na]+ 337.05764 165.5
[M+NH4]+ 332.10224 169.4
[M+K]+ 353.03158 166.3
[M-H]- 313.06114 156.7
[M+Na-2H]- 335.04309 162.3
[M]+ 314.06787 161.2
[M]- 314.06897 161.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe