CID 42608175

Coprinol

Structural Information

Molecular Formula
C15H22O2
SMILES
CC1=C2CC(CC2=C(C(=C1CCO)C)O)(C)C
InChI
InChI=1S/C15H22O2/c1-9-11(5-6-16)10(2)14(17)13-8-15(3,4)7-12(9)13/h16-17H,5-8H2,1-4H3
InChIKey
GCMUHPCLXBXQDH-UHFFFAOYSA-N
Compound name
6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-1,3-dihydroinden-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

59
Patents

234.16199 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.169266 153.7
[M+Na]+ 257.151208 163.6
[M-H]- 233.154714 156.5
[M+NH4]+ 252.195813 176.5
[M+K]+ 273.125148 159.2
[M+H-H2O]+ 217.159250 150.1
[M+HCOO]- 279.160191 172.8
[M+CH3COO]- 293.175841 191.5
[M+Na-2H]- 255.136656 155.6
[M]+ 234.16144142 155.3
[M]- 234.16253858 155.3
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