CID 54684785

3-hydroxy-2-(hydroxymethyl)-4-tetradecanoyl-2h-furan-5-one

Structural Information

Molecular Formula
C19H32O5
SMILES
CCCCCCCCCCCCCC(=O)C1=C(C(OC1=O)CO)O
InChI
InChI=1S/C19H32O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(21)17-18(22)16(14-20)24-19(17)23/h16,20,22H,2-14H2,1H3
InChIKey
UZLIDCIQVRHKOP-UHFFFAOYSA-N
Compound name
3-hydroxy-2-(hydroxymethyl)-4-tetradecanoyl-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.22498 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.23226 186.4
[M+Na]+ 363.21420 190.2
[M-H]- 339.21770 186.6
[M+NH4]+ 358.25880 199.3
[M+K]+ 379.18814 187.3
[M+H-H2O]+ 323.22224 180.1
[M+HCOO]- 385.22318 203.3
[M+CH3COO]- 399.23883 209.6
[M+Na-2H]- 361.19965 183.2
[M]+ 340.22443 192.4
[M]- 340.22553 192.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.