CID 10775424

Presilphiperfolan-8beta-ol

Structural Information

Molecular Formula
C15H26O
SMILES
C[C@@H]1CC[C@@H]2[C@@]3([C@H]1CC[C@]3(CC2(C)C)C)O
InChI
InChI=1S/C15H26O/c1-10-5-6-12-13(2,3)9-14(4)8-7-11(10)15(12,14)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12+,14+,15-/m1/s1
InChIKey
ZCRYDCBITZERMT-FUQNVFFISA-N
Compound name
(1S,4S,7S,8R,11R)-2,2,4,8-tetramethyltricyclo[5.3.1.04,11]undecan-11-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

6
Patents

222.19836 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 154.7
[M+Na]+ 245.18758 162.7
[M-H]- 221.19108 157.8
[M+NH4]+ 240.23218 184.5
[M+K]+ 261.16152 158.1
[M+H-H2O]+ 205.19562 151.7
[M+HCOO]- 267.19656 169.7
[M+CH3COO]- 281.21221 166.9
[M+Na-2H]- 243.17303 157.1
[M]+ 222.19781 152.1
[M]- 222.19891 152.1
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

patents stripe