CID 54693753

4-hydroxy-6-undecyl-2h-pyran-2-one

Structural Information

Molecular Formula
C16H26O3
SMILES
CCCCCCCCCCCC1=CC(=CC(=O)O1)O
InChI
InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-15-12-14(17)13-16(18)19-15/h12-13,17H,2-11H2,1H3
InChIKey
UHXLJSSQRSIPND-UHFFFAOYSA-N
Compound name
4-hydroxy-6-undecylpyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

10
Patents

266.1882 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.19548 165.0
[M+Na]+ 289.17742 171.2
[M-H]- 265.18092 167.3
[M+NH4]+ 284.22202 180.1
[M+K]+ 305.15136 168.5
[M+H-H2O]+ 249.18546 158.2
[M+HCOO]- 311.18640 185.7
[M+CH3COO]- 325.20205 197.4
[M+Na-2H]- 287.16287 168.5
[M]+ 266.18765 170.7
[M]- 266.18875 170.7
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