CID 15559587

Schembl11030233

Structural Information

Molecular Formula
C20H32O3
SMILES
CC1=CC[C@@H]2[C@@]([C@@]13CC[C@](O3)(C)CC(=O)O)(CCCC2(C)C)C
InChI
InChI=1S/C20H32O3/c1-14-7-8-15-17(2,3)9-6-10-19(15,5)20(14)12-11-18(4,23-20)13-16(21)22/h7,15H,6,8-13H2,1-5H3,(H,21,22)/t15-,18+,19-,20+/m0/s1
InChIKey
XLWWERNKTLITEF-JOCLIGHLSA-N
Compound name
2-[(2'R,4aS,8R,8aS)-2',4,4,7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

320.23514 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.242416 175.3
[M+Na]+ 343.224358 182.0
[M-H]- 319.227864 180.5
[M+NH4]+ 338.268963 198.9
[M+K]+ 359.198298 179.3
[M+H-H2O]+ 303.232400 171.3
[M+HCOO]- 365.233341 186.7
[M+CH3COO]- 379.248991 206.3
[M+Na-2H]- 341.209806 177.8
[M]+ 320.23459142 173.0
[M]- 320.23568858 173.0
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

patents stripe