CID 42608139

Kissoones a

Structural Information

Molecular Formula
C15H22O
SMILES
C/C/1=C/CCC(=O)/C=C\[C@H]2[C@H](C2(C)C)CC1
InChI
InChI=1S/C15H22O/c1-11-5-4-6-12(16)8-10-14-13(9-7-11)15(14,2)3/h5,8,10,13-14H,4,6-7,9H2,1-3H3/b10-8-,11-5-/t13-,14+/m1/s1
InChIKey
WCZCSOXIWRFHNZ-UPQREJAMSA-N
Compound name
(1S,2Z,7Z,11R)-8,12,12-trimethylbicyclo[9.1.0]dodeca-2,7-dien-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.16707 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 145.9
[M+Na]+ 241.15629 155.3
[M-H]- 217.15979 149.5
[M+NH4]+ 236.20089 160.8
[M+K]+ 257.13023 154.1
[M+H-H2O]+ 201.16433 144.6
[M+HCOO]- 263.16527 165.1
[M+CH3COO]- 277.18092 190.1
[M+Na-2H]- 239.14174 150.1
[M]+ 218.16652 145.7
[M]- 218.16762 145.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.