CID 375825

Nsc656073

Structural Information

Molecular Formula
C23H32O3
SMILES
C1C2CC3CC1CC(C2)C34CC(C(=O)O4)C5(C6CC7CC(C6)CC5C7)O
InChI
InChI=1S/C23H32O3/c24-21-20(23(25)18-7-14-2-15(9-18)10-19(23)8-14)11-22(26-21)16-3-12-1-13(5-16)6-17(22)4-12/h12-20,25H,1-11H2
InChIKey
LLHZVXNVHFKRNL-UHFFFAOYSA-N
Compound name
3'-(2-hydroxy-2-adamantyl)spiro[adamantane-2,5'-oxolane]-2'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.23514 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.24242 165.2
[M+Na]+ 379.22436 158.9
[M-H]- 355.22786 156.6
[M+NH4]+ 374.26896 186.1
[M+K]+ 395.19830 152.8
[M+H-H2O]+ 339.23240 150.5
[M+HCOO]- 401.23334 151.5
[M+CH3COO]- 415.24899 165.9
[M+Na-2H]- 377.20981 168.5
[M]+ 356.23459 160.1
[M]- 356.23569 160.1
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.