CID 6436348

Germacrone

Structural Information

Molecular Formula
C15H22O
SMILES
C/C/1=C\CC(=C(C)C)C(=O)C/C(=C/CC1)/C
InChI
InChI=1S/C15H22O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h7-8H,5-6,9-10H2,1-4H3/b12-8+,13-7+
InChIKey
CAULGCQHVOVVRN-SWZPTJTJSA-N
Compound name
(3E,7E)-3,7-dimethyl-10-propan-2-ylidenecyclodeca-3,7-dien-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

86
References

557
Patents

218.16707 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 148.0
[M+Na]+ 241.15629 154.6
[M-H]- 217.15979 149.1
[M+NH4]+ 236.20089 164.7
[M+K]+ 257.13023 152.5
[M+H-H2O]+ 201.16433 145.8
[M+HCOO]- 263.16527 167.1
[M+CH3COO]- 277.18092 187.9
[M+Na-2H]- 239.14174 148.0
[M]+ 218.16652 143.4
[M]- 218.16762 143.4
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