CID 129320442

(+)-corvol ether b

Structural Information

Molecular Formula
C15H26O
SMILES
C[C@H]1CC[C@]23[C@@H]1CC[C@](C2)(O[C@H]3C(C)C)C
InChI
InChI=1S/C15H26O/c1-10(2)13-15-8-5-11(3)12(15)6-7-14(4,9-15)16-13/h10-13H,5-9H2,1-4H3/t11-,12+,13-,14+,15+/m0/s1
InChIKey
SWPWNLQMJDQTRD-XPABHHOTSA-N
Compound name
(1R,4S,5R,8R,10S)-4,8-dimethyl-10-propan-2-yl-9-oxatricyclo[6.2.1.01,5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

222.19836 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 155.7
[M+Na]+ 245.187578 161.7
[M-H]- 221.191084 160.1
[M+NH4]+ 240.232183 182.6
[M+K]+ 261.161518 159.7
[M+H-H2O]+ 205.195620 152.0
[M+HCOO]- 267.196561 170.3
[M+CH3COO]- 281.212211 167.7
[M+Na-2H]- 243.173026 157.3
[M]+ 222.19781142 153.9
[M]- 222.19890858 153.9
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.