CID 111694

2-cyclopenten-1-one, 2-hydroxy-4-undecyl-

Structural Information

Molecular Formula
C16H28O2
SMILES
CCCCCCCCCCCC1CC(=O)C(=C1)O
InChI
InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-14-12-15(17)16(18)13-14/h12,14,17H,2-11,13H2,1H3
InChIKey
AFRAWDMHCCDAIR-UHFFFAOYSA-N
Compound name
2-hydroxy-4-undecylcyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

252.20892 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.216196 165.1
[M+Na]+ 275.198138 170.1
[M-H]- 251.201644 166.2
[M+NH4]+ 270.242743 183.8
[M+K]+ 291.172078 166.3
[M+H-H2O]+ 235.206180 159.1
[M+HCOO]- 297.207121 185.7
[M+CH3COO]- 311.222771 195.7
[M+Na-2H]- 273.183586 164.5
[M]+ 252.20837142 167.9
[M]- 252.20946858 167.9
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

patents stripe