CID 129320473

(+)-corvol ether a

Structural Information

Molecular Formula
C15H26O
SMILES
C[C@H]1CC[C@]2([C@H]3[C@@H]1CC[C@](C3)(O2)C)C(C)C
InChI
InChI=1S/C15H26O/c1-10(2)15-8-5-11(3)12-6-7-14(4,16-15)9-13(12)15/h10-13H,5-9H2,1-4H3/t11-,12+,13+,14+,15+/m0/s1
InChIKey
WNZXPDXXLQCXHX-NJVJYBDUSA-N
Compound name
(1R,4R,5S,8R,9R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.04,9]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

222.19836 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 154.9
[M+Na]+ 245.187578 160.3
[M-H]- 221.191084 157.5
[M+NH4]+ 240.232183 180.6
[M+K]+ 261.161518 158.4
[M+H-H2O]+ 205.195620 150.3
[M+HCOO]- 267.196561 166.9
[M+CH3COO]- 281.212211 166.2
[M+Na-2H]- 243.173026 158.9
[M]+ 222.19781142 152.8
[M]- 222.19890858 152.8
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.