CID 85186102

(10betah,11xi)-11-hydroxy-13-nor-6-eremophilen-8-one

Structural Information

Molecular Formula
C14H22O2
SMILES
CC1CCCC2C1(C=C(C(=O)C2)C(C)O)C
InChI
InChI=1S/C14H22O2/c1-9-5-4-6-11-7-13(16)12(10(2)15)8-14(9,11)3/h8-11,15H,4-7H2,1-3H3
InChIKey
YAQFZWZUAZKHAL-UHFFFAOYSA-N
Compound name
3-(1-hydroxyethyl)-4a,5-dimethyl-1,5,6,7,8,8a-hexahydronaphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.16199 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.16927 152.4
[M+Na]+ 245.15121 163.2
[M+NH4]+ 240.19581 162.6
[M+K]+ 261.12515 155.1
[M-H]- 221.15471 154.3
[M+Na-2H]- 243.13666 156.8
[M]+ 222.16144 154.5
[M]- 222.16254 154.5
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.