CID 439937

(+)-bornyl-diphosphate

Structural Information

Molecular Formula
C10H20O7P2
SMILES
CC1(C2CCC1([C@H](C2)OP(=O)(O)OP(=O)(O)O)C)C
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?/m0/s1
InChIKey
VZPAJODTZAAANV-ZCUBBSJVSA-N
Compound name
phosphono [(2S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

10
References

93
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 168.8
[M+Na]+ 337.05764 175.2
[M-H]- 313.06114 165.5
[M+NH4]+ 332.10224 191.1
[M+K]+ 353.03158 174.8
[M+H-H2O]+ 297.06568 164.1
[M+HCOO]- 359.06662 193.2
[M+CH3COO]- 373.08227 196.8
[M+Na-2H]- 335.04309 172.9
[M]+ 314.06787 172.9
[M]- 314.06897 172.9
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