CID 12299866

(e)-10,11-dihydro-alpha-atlantone

Structural Information

Molecular Formula
C15H22O
SMILES
CC1=CCC(CC1)/C(=C\C(=O)C=C(C)C)/C
InChI
InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,9-10,14H,6-8H2,1-4H3/b13-10-
InChIKey
OJEFBZMKKJTKKK-RAXLEYEMSA-N
Compound name
(5Z)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-2,5-dien-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

218.16707 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 153.5
[M+Na]+ 241.15629 157.6
[M-H]- 217.15979 156.1
[M+NH4]+ 236.20089 172.0
[M+K]+ 257.13023 154.8
[M+H-H2O]+ 201.16433 147.8
[M+HCOO]- 263.16527 171.1
[M+CH3COO]- 277.18092 192.0
[M+Na-2H]- 239.14174 152.3
[M]+ 218.16652 150.4
[M]- 218.16762 150.4
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