CID 15599878

Clovanediol

Structural Information

Molecular Formula
C15H26O2
SMILES
C[C@@]12CC[C@@H]3[C@@](C1)(CC[C@H]2O)[C@H](CC3(C)C)O
InChI
InChI=1S/C15H26O2/c1-13(2)8-12(17)15-7-5-11(16)14(3,9-15)6-4-10(13)15/h10-12,16-17H,4-9H2,1-3H3/t10-,11+,12-,14+,15-/m0/s1
InChIKey
BWXJQHJHGMZLBT-OEMOEHNSSA-N
Compound name
(1S,2S,5S,8R,9R)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

6
Patents

238.19328 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.200556 158.5
[M+Na]+ 261.182498 165.1
[M-H]- 237.186004 159.8
[M+NH4]+ 256.227103 185.2
[M+K]+ 277.156438 160.7
[M+H-H2O]+ 221.190540 154.8
[M+HCOO]- 283.191481 169.9
[M+CH3COO]- 297.207131 189.5
[M+Na-2H]- 259.167946 162.0
[M]+ 238.19273142 153.6
[M]- 238.19382858 153.6
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