CID 54475106

2-undecen-4-one

Structural Information

Molecular Formula
C11H20O
SMILES
CCCCCCCC(=O)C=CC
InChI
InChI=1S/C11H20O/c1-3-5-6-7-8-10-11(12)9-4-2/h4,9H,3,5-8,10H2,1-2H3
InChIKey
XKZRHGWZYDQHSN-UHFFFAOYSA-N
Compound name
undec-2-en-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

49
Patents

168.15141 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.158686 142.2
[M+Na]+ 191.140628 147.8
[M-H]- 167.144134 141.8
[M+NH4]+ 186.185233 163.0
[M+K]+ 207.114568 146.1
[M+H-H2O]+ 151.148670 137.2
[M+HCOO]- 213.149611 164.1
[M+CH3COO]- 227.165261 182.7
[M+Na-2H]- 189.126076 145.5
[M]+ 168.15086142 144.8
[M]- 168.15195858 144.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.