CID 86075477

4-hydroxy-6-nonadecylpyran-2-one

Structural Information

Molecular Formula
C24H42O3
SMILES
CCCCCCCCCCCCCCCCCCCC1=CC(=CC(=O)O1)O
InChI
InChI=1S/C24H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-22(25)21-24(26)27-23/h20-21,25H,2-19H2,1H3
InChIKey
YIANZBYTXWNKKM-UHFFFAOYSA-N
Compound name
4-hydroxy-6-nonadecylpyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.3134 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.32068 201.6
[M+Na]+ 401.30262 204.1
[M-H]- 377.30612 202.1
[M+NH4]+ 396.34722 212.0
[M+K]+ 417.27656 199.6
[M+H-H2O]+ 361.31066 193.1
[M+HCOO]- 423.31160 219.4
[M+CH3COO]- 437.32725 221.2
[M+Na-2H]- 399.28807 200.7
[M]+ 378.31285 210.0
[M]- 378.31395 210.0
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.