CID 12443125

Sugeonol

Structural Information

Molecular Formula
C15H22O2
SMILES
CC1CCC2C(C3=C(C(=O)CC13C2(C)C)C)O
InChI
InChI=1S/C15H22O2/c1-8-5-6-10-13(17)12-9(2)11(16)7-15(8,12)14(10,3)4/h8,10,13,17H,5-7H2,1-4H3
InChIKey
BOBZQUWDNGGBHD-UHFFFAOYSA-N
Compound name
6-hydroxy-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-en-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

27
Patents

234.16199 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 153.8
[M+Na]+ 257.15121 163.6
[M-H]- 233.15471 157.7
[M+NH4]+ 252.19581 181.8
[M+K]+ 273.12515 159.0
[M+H-H2O]+ 217.15925 151.3
[M+HCOO]- 279.16019 170.7
[M+CH3COO]- 293.17584 193.1
[M+Na-2H]- 255.13666 155.3
[M]+ 234.16144 153.9
[M]- 234.16254 153.9
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