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]+ 223.20564 154.9
[M+Na]+ 245.18758 160.3
[M-H]- 221.19108 157.5
[M+NH4]+ 240.23218 180.6
[M+K]+ 261.16152 158.4
[M+H-H2O]+ 205.19562 150.3
[M+HCOO]- 267.19656 166.9
[M+CH3COO]- 281.21221 166.2
[M+Na-2H]- 243.17303 158.9
[M]+ 222.19781 152.8
[M]- 222.19891 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.