CID 91825618

4-hydroxy-6-(2-methyldecyl)-pyran-2-one

Structural Information

Molecular Formula
C16H26O3
SMILES
CCCCCCCCC(C)CC1=CC(=CC(=O)O1)O
InChI
InChI=1S/C16H26O3/c1-3-4-5-6-7-8-9-13(2)10-15-11-14(17)12-16(18)19-15/h11-13,17H,3-10H2,1-2H3
InChIKey
KVHQKDOXKYEICJ-UHFFFAOYSA-N
Compound name
4-hydroxy-6-(2-methyldecyl)pyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1882 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.195476 165.6
[M+Na]+ 289.177418 171.4
[M-H]- 265.180924 167.9
[M+NH4]+ 284.222023 180.6
[M+K]+ 305.151358 169.3
[M+H-H2O]+ 249.185460 158.9
[M+HCOO]- 311.186401 185.2
[M+CH3COO]- 325.202051 198.2
[M+Na-2H]- 287.162866 167.8
[M]+ 266.18765142 170.6
[M]- 266.18874858 170.6
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

No patent data available for this compound.