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 164.7
[M+Na]+ 289.17742 176.2
[M+NH4]+ 284.22202 171.2
[M+K]+ 305.15136 169.7
[M-H]- 265.18092 166.8
[M+Na-2H]- 287.16287 168.3
[M]+ 266.18765 166.9
[M]- 266.18875 166.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.