CID 133454

Panasinsanol a

Structural Information

Molecular Formula
C15H26O
SMILES
C[C@]12CCC[C@@](C13CC([C@@H]3CC2)(C)C)(C)O
InChI
InChI=1S/C15H26O/c1-12(2)10-15-11(12)6-9-13(15,3)7-5-8-14(15,4)16/h11,16H,5-10H2,1-4H3/t11-,13+,14+,15?/m0/s1
InChIKey
ZEQZCZRDJPTCHI-JCHYFPDLSA-N
Compound name
(2aS,4aR,8R)-2,2,4a,8-tetramethyl-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]inden-8-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

222.19836 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 156.2
[M+Na]+ 245.18758 163.0
[M-H]- 221.19108 161.2
[M+NH4]+ 240.23218 178.9
[M+K]+ 261.16152 161.5
[M+H-H2O]+ 205.19562 150.0
[M+HCOO]- 267.19656 170.6
[M+CH3COO]- 281.21221 192.2
[M+Na-2H]- 243.17303 160.7
[M]+ 222.19781 162.3
[M]- 222.19891 162.3
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.