CID 116690

70766-51-7

Structural Information

Molecular Formula
C22H31O3P
SMILES
COP(OCC1CC2CC1C=C2)OCC3CC4CC3C5C4C6CC5C=C6
InChI
InChI=1S/C22H31O3P/c1-23-26(24-11-18-7-13-2-3-14(18)6-13)25-12-19-9-17-10-20(19)22-16-5-4-15(8-16)21(17)22/h2-5,13-22H,6-12H2,1H3
InChIKey
UFXBHKWZYMTVEC-UHFFFAOYSA-N
Compound name
2-bicyclo[2.2.1]hept-5-enylmethyl methyl 4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl phosphite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.20108 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.20836 195.8
[M+Na]+ 397.19030 198.4
[M-H]- 373.19380 201.3
[M+NH4]+ 392.23490 222.4
[M+K]+ 413.16424 196.1
[M+H-H2O]+ 357.19834 193.3
[M+HCOO]- 419.19928 215.0
[M+CH3COO]- 433.21493 204.6
[M+Na-2H]- 395.17575 184.0
[M]+ 374.20053 199.9
[M]- 374.20163 199.9
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

No patent data available for this compound.