CID 157009751

(+)-bottrospicatol

Structural Information

Molecular Formula
C10H16O2
SMILES
CC1=C[C@@H]2C[C@@H](C1)O[C@@]2(C)CO
InChI
InChI=1S/C10H16O2/c1-7-3-8-5-9(4-7)12-10(8,2)6-11/h3,8-9,11H,4-6H2,1-2H3/t8-,9-,10+/m1/s1
InChIKey
OMWUOSNAHMXNQJ-BBBLOLIVSA-N
Compound name
[(1S,5S,7R)-3,7-dimethyl-6-oxabicyclo[3.2.1]oct-2-en-7-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.11504 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.122316 135.6
[M+Na]+ 191.104258 143.7
[M-H]- 167.107764 138.1
[M+NH4]+ 186.148863 160.1
[M+K]+ 207.078198 142.5
[M+H-H2O]+ 151.112300 132.1
[M+HCOO]- 213.113241 153.9
[M+CH3COO]- 227.128891 177.2
[M+Na-2H]- 189.089706 142.3
[M]+ 168.11449142 135.7
[M]- 168.11558858 135.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.