CID 87475018

M2tc6kg67c

Structural Information

Molecular Formula
C11H16O
SMILES
CCC(=O)CC/C=C\C=C\C=C
InChI
InChI=1S/C11H16O/c1-3-5-6-7-8-9-10-11(12)4-2/h3,5-8H,1,4,9-10H2,2H3/b6-5+,8-7-
InChIKey
AJRVUFGWENEBHO-MDAAKZFYSA-N
Compound name
(6Z,8E)-undeca-6,8,10-trien-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

61
Patents

164.12012 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.12740 138.8
[M+Na]+ 187.10934 145.2
[M-H]- 163.11284 138.6
[M+NH4]+ 182.15394 159.7
[M+K]+ 203.08328 142.2
[M+H-H2O]+ 147.11738 134.1
[M+HCOO]- 209.11832 161.1
[M+CH3COO]- 223.13397 180.2
[M+Na-2H]- 185.09479 142.3
[M]+ 164.11957 139.9
[M]- 164.12067 139.9
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