CID 11545386

(2s)-2-[(4s)-4-hydroxynonadecyl]-2,3-dihydropyran-6-one

Structural Information

Molecular Formula
C24H44O3
SMILES
CCCCCCCCCCCCCCC[C@@H](CCC[C@H]1CC=CC(=O)O1)O
InChI
InChI=1S/C24H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22(25)18-15-19-23-20-16-21-24(26)27-23/h16,21-23,25H,2-15,17-20H2,1H3/t22-,23-/m0/s1
InChIKey
XDJUPRZQCHYGIU-GOTSBHOMSA-N
Compound name
(2S)-2-[(4S)-4-hydroxynonadecyl]-2,3-dihydropyran-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.32904 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.33632 204.9
[M+Na]+ 403.31826 204.3
[M-H]- 379.32176 204.4
[M+NH4]+ 398.36286 214.6
[M+K]+ 419.29220 200.5
[M+H-H2O]+ 363.32630 196.4
[M+HCOO]- 425.32724 218.8
[M+CH3COO]- 439.34289 221.5
[M+Na-2H]- 401.30371 201.6
[M]+ 380.32849 209.5
[M]- 380.32959 209.5
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.