CID 14060597

Capnell-9(12)-ene-8beta,10alpha-diol

Structural Information

Molecular Formula
C15H24O2
SMILES
C[C@@]12CCC([C@@H]1[C@@]3([C@H](C2)C[C@@H](C3=C)O)O)(C)C
InChI
InChI=1S/C15H24O2/c1-9-11(16)7-10-8-14(4)6-5-13(2,3)12(14)15(9,10)17/h10-12,16-17H,1,5-8H2,2-4H3/t10-,11-,12-,14-,15+/m0/s1
InChIKey
NGFSLNSVVNJTOK-ZCRGAIPPSA-N
Compound name
(3aS,3bR,5S,6aR,7aS)-3,3,7a-trimethyl-4-methylidene-2,3a,5,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-3b,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

236.17763 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 157.7
[M+Na]+ 259.16685 167.2
[M-H]- 235.17035 161.0
[M+NH4]+ 254.21145 187.8
[M+K]+ 275.14079 161.5
[M+H-H2O]+ 219.17489 156.8
[M+HCOO]- 281.17583 173.7
[M+CH3COO]- 295.19148 188.9
[M+Na-2H]- 257.15230 158.1
[M]+ 236.17708 155.1
[M]- 236.17818 155.1
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.