CID 6427130

12n657g73y

Structural Information

Molecular Formula
C11H18O
SMILES
CCCCC/C=C/C=C/C(=O)C
InChI
InChI=1S/C11H18O/c1-3-4-5-6-7-8-9-10-11(2)12/h7-10H,3-6H2,1-2H3/b8-7+,10-9+
InChIKey
RCFOEQFXUGQOMT-XBLVEGMJSA-N
Compound name
(3E,5E)-undeca-3,5-dien-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

66
Patents

166.13577 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.143046 140.6
[M+Na]+ 189.124988 146.7
[M-H]- 165.128494 140.3
[M+NH4]+ 184.169593 161.5
[M+K]+ 205.098928 144.3
[M+H-H2O]+ 149.133030 135.8
[M+HCOO]- 211.133971 162.7
[M+CH3COO]- 225.149621 181.1
[M+Na-2H]- 187.110436 144.0
[M]+ 166.13522142 142.4
[M]- 166.13631858 142.4
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