CID 111694

2-hydroxy-4-undecylcyclopent-2-en-1-one

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]+ 253.21620 164.8
[M+Na]+ 275.19814 173.7
[M+NH4]+ 270.24274 171.7
[M+K]+ 291.17208 168.0
[M-H]- 251.20164 165.1
[M+Na-2H]- 273.18359 166.8
[M]+ 252.20837 165.9
[M]- 252.20947 165.9
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