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]+ 223.20564 155.7
[M+Na]+ 245.18758 161.7
[M-H]- 221.19108 160.1
[M+NH4]+ 240.23218 182.6
[M+K]+ 261.16152 159.7
[M+H-H2O]+ 205.19562 152.0
[M+HCOO]- 267.19656 170.3
[M+CH3COO]- 281.21221 167.7
[M+Na-2H]- 243.17303 157.3
[M]+ 222.19781 153.9
[M]- 222.19891 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.