CID 54698088

4-hydroxy-6-pentadecylpyran-2-one

Structural Information

Molecular Formula
C20H34O3
SMILES
CCCCCCCCCCCCCCCC1=CC(=CC(=O)O1)O
InChI
InChI=1S/C20H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-18(21)17-20(22)23-19/h16-17,21H,2-15H2,1H3
InChIKey
YDVWWMILPXBXSV-UHFFFAOYSA-N
Compound name
4-hydroxy-6-pentadecylpyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

322.2508 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.25808 183.5
[M+Na]+ 345.24002 187.8
[M-H]- 321.24352 184.9
[M+NH4]+ 340.28462 196.2
[M+K]+ 361.21396 184.2
[M+H-H2O]+ 305.24806 175.8
[M+HCOO]- 367.24900 202.7
[M+CH3COO]- 381.26465 209.4
[M+Na-2H]- 343.22547 184.7
[M]+ 322.25025 190.5
[M]- 322.25135 190.5
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