CID 163112333

3-[(2r)-2-hydroxy-16-methyloctadecyl]-2h-furan-5-one

Structural Information

Molecular Formula
C23H42O3
SMILES
CCC(C)CCCCCCCCCCCCC[C@H](CC1=CC(=O)OC1)O
InChI
InChI=1S/C23H42O3/c1-3-20(2)15-13-11-9-7-5-4-6-8-10-12-14-16-22(24)17-21-18-23(25)26-19-21/h18,20,22,24H,3-17,19H2,1-2H3/t20?,22-/m1/s1
InChIKey
POQVWCOTAJKMEE-LWMIZPGFSA-N
Compound name
3-[(2R)-2-hydroxy-16-methyloctadecyl]-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.3134 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.32068 202.8
[M+Na]+ 389.30262 203.2
[M-H]- 365.30612 202.8
[M+NH4]+ 384.34722 214.9
[M+K]+ 405.27656 200.0
[M+H-H2O]+ 349.31066 195.3
[M+HCOO]- 411.31160 218.2
[M+CH3COO]- 425.32725 218.9
[M+Na-2H]- 387.28807 197.4
[M]+ 366.31285 208.4
[M]- 366.31395 208.4
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.