CID 530428

Vulgarone b

Structural Information

Molecular Formula
C15H22O
SMILES
CC1=CC(=O)C2C3C1C2(CCCC3(C)C)C
InChI
InChI=1S/C15H22O/c1-9-8-10(16)12-13-11(9)15(12,4)7-5-6-14(13,2)3/h8,11-13H,5-7H2,1-4H3
InChIKey
KTPOZFYJWLGJGH-UHFFFAOYSA-N
Compound name
2,6,6,11-tetramethyltricyclo[5.4.0.02,8]undec-10-en-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

33
Patents

218.16707 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 163.0
[M+Na]+ 241.15629 169.8
[M-H]- 217.15979 166.7
[M+NH4]+ 236.20089 183.1
[M+K]+ 257.13023 168.9
[M+H-H2O]+ 201.16433 157.2
[M+HCOO]- 263.16527 174.6
[M+CH3COO]- 277.18092 173.7
[M+Na-2H]- 239.14174 169.4
[M]+ 218.16652 171.2
[M]- 218.16762 171.2
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