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 151.6
[M+Na]+ 245.15121 157.5
[M-H]- 221.15471 154.2
[M+NH4]+ 240.19581 172.7
[M+K]+ 261.12515 154.8
[M+H-H2O]+ 205.15925 146.8
[M+HCOO]- 267.16019 166.6
[M+CH3COO]- 281.17584 189.8
[M+Na-2H]- 243.13666 153.8
[M]+ 222.16144 147.5
[M]- 222.16254 147.5
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.