CID 12502802

Undec-1-en-6-one

Structural Information

Molecular Formula
C11H20O
SMILES
CCCCCC(=O)CCCC=C
InChI
InChI=1S/C11H20O/c1-3-5-7-9-11(12)10-8-6-4-2/h3H,1,4-10H2,2H3
InChIKey
UVICMAZHYMEBNS-UHFFFAOYSA-N
Compound name
undec-1-en-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.15141 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.15869 142.0
[M+Na]+ 191.14063 147.6
[M-H]- 167.14413 141.6
[M+NH4]+ 186.18523 162.7
[M+K]+ 207.11457 145.8
[M+H-H2O]+ 151.14867 137.0
[M+HCOO]- 213.14961 163.8
[M+CH3COO]- 227.16526 183.4
[M+Na-2H]- 189.12608 145.3
[M]+ 168.15086 144.6
[M]- 168.15196 144.6
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.