CID 11710369

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

Structural Information

Molecular Formula
C23H42O3
SMILES
CCCCCCCCCCCCCCC[C@@H](CC[C@H]1CC=CC(=O)O1)O
InChI
InChI=1S/C23H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-21(24)19-20-22-17-15-18-23(25)26-22/h15,18,21-22,24H,2-14,16-17,19-20H2,1H3/t21-,22+/m0/s1
InChIKey
YHOQWICQXWYFPB-FCHUYYIVSA-N
Compound name
(2S)-2-[(3S)-3-hydroxyoctadecyl]-2,3-dihydropyran-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.3134 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.32068 200.5
[M+Na]+ 389.30262 200.3
[M-H]- 365.30612 200.1
[M+NH4]+ 384.34722 210.7
[M+K]+ 405.27656 196.7
[M+H-H2O]+ 349.31066 192.2
[M+HCOO]- 411.31160 214.8
[M+CH3COO]- 425.32725 218.6
[M+Na-2H]- 387.28807 197.7
[M]+ 366.31285 204.7
[M]- 366.31395 204.7
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.