CID 91752244

7,9-illudadiene-3,14-diol

Structural Information

Molecular Formula
C15H22O2
SMILES
CC1(CC2C(=C1)C=C(C3(C2(C)O)CC3)CO)C
InChI
InChI=1S/C15H22O2/c1-13(2)7-10-6-11(9-16)15(4-5-15)14(3,17)12(10)8-13/h6-7,12,16-17H,4-5,8-9H2,1-3H3
InChIKey
YEDYYAKSTVQMBN-UHFFFAOYSA-N
Compound name
6-(hydroxymethyl)-2,2,4-trimethylspiro[3,3a-dihydroindene-5,1'-cyclopropane]-4-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

234.16199 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.169266 153.3
[M+Na]+ 257.151208 164.4
[M-H]- 233.154714 158.8
[M+NH4]+ 252.195813 174.5
[M+K]+ 273.125148 160.8
[M+H-H2O]+ 217.159250 151.0
[M+HCOO]- 279.160191 169.7
[M+CH3COO]- 293.175841 191.0
[M+Na-2H]- 255.136656 158.6
[M]+ 234.16144142 156.0
[M]- 234.16253858 156.0
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

No patent data available for this compound.