CID 42608203

Ishwarol

Structural Information

Molecular Formula
C15H24O
SMILES
C[C@@H]1CCC(C23[C@]1(CC4C(C2)C4(C3)C)C)O
InChI
InChI=1S/C15H24O/c1-9-4-5-12(16)15-7-11-10(6-14(9,15)3)13(11,2)8-15/h9-12,16H,4-8H2,1-3H3/t9-,10?,11?,12?,13?,14+,15?/m1/s1
InChIKey
VMCKVEZJNIGBQQ-DTZPQEEQSA-N
Compound name
(5R,6S)-5,6,9-trimethyltetracyclo[7.2.1.01,6.08,10]dodecan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 152.9
[M+Na]+ 243.17193 160.9
[M-H]- 219.17543 154.1
[M+NH4]+ 238.21653 177.8
[M+K]+ 259.14587 156.4
[M+H-H2O]+ 203.17997 147.8
[M+HCOO]- 265.18091 159.9
[M+CH3COO]- 279.19656 163.2
[M+Na-2H]- 241.15738 159.9
[M]+ 220.18216 156.3
[M]- 220.18326 156.3
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.