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

4
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

patents stripe