CID 490534

1h-cyclopenta[a]cyclopropa[i]naphthalen-5-ol, dodecahydro-1,5,7a,9a-tetramethyl-, (1s,3ar,3br,4ar,5r,7as,9ar)-

Structural Information

Molecular Formula
C18H30O
SMILES
C[C@H]1CC[C@@H]2[C@@]1(CC[C@@]3([C@]24C[C@H]4[C@](CC3)(C)O)C)C
InChI
InChI=1S/C18H30O/c1-12-5-6-13-16(12,3)9-7-15(2)8-10-17(4,19)14-11-18(13,14)15/h12-14,19H,5-11H2,1-4H3/t12-,13+,14-,15-,16+,17+,18+/m0/s1
InChIKey
WBPDOQDUYWEWBK-SRBGOCBZSA-N
Compound name
(1R,2R,5S,6R,9S,12R,13R)-5,6,9,12-tetramethyltetracyclo[7.5.0.01,13.02,6]tetradecan-12-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

262.22968 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.23696 166.2
[M+Na]+ 285.21890 174.9
[M-H]- 261.22240 171.6
[M+NH4]+ 280.26350 189.4
[M+K]+ 301.19284 171.7
[M+H-H2O]+ 245.22694 162.5
[M+HCOO]- 307.22788 176.2
[M+CH3COO]- 321.24353 176.8
[M+Na-2H]- 283.20435 169.7
[M]+ 262.22913 165.4
[M]- 262.23023 165.4
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

No patent data available for this compound.