CID 1757003

Pseudoionone

Structural Information

Molecular Formula
C13H20O
SMILES
CC(=CCC/C(=C/C=C/C(=O)C)/C)C
InChI
InChI=1S/C13H20O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,9-10H,5,8H2,1-4H3/b10-6+,12-9+
InChIKey
JXJIQCXXJGRKRJ-KOOBJXAQSA-N
Compound name
(3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

8
References

1804
Patents

192.15141 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.15869 150.3
[M+Na]+ 215.14063 159.2
[M+NH4]+ 210.18523 156.6
[M+K]+ 231.11457 153.1
[M-H]- 191.14413 148.6
[M+Na-2H]- 213.12608 151.6
[M]+ 192.15086 150.7
[M]- 192.15196 150.7
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