CID 162529

1-undecen-3-one

Structural Information

Molecular Formula
C11H20O
SMILES
CCCCCCCCC(=O)C=C
InChI
InChI=1S/C11H20O/c1-3-5-6-7-8-9-10-11(12)4-2/h4H,2-3,5-10H2,1H3
InChIKey
ADDGAKQSFRASOV-UHFFFAOYSA-N
Compound name
undec-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

478
Patents

168.15141 Da
Monoisotopic Mass

4.3
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

literature stripe

Patent stripe

patents stripe