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]+ 267.19548 165.6
[M+Na]+ 289.17742 171.4
[M-H]- 265.18092 167.9
[M+NH4]+ 284.22202 180.6
[M+K]+ 305.15136 169.3
[M+H-H2O]+ 249.18546 158.9
[M+HCOO]- 311.18640 185.2
[M+CH3COO]- 325.20205 198.2
[M+Na-2H]- 287.16287 167.8
[M]+ 266.18765 170.6
[M]- 266.18875 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.