CID 6453801

D-glucitol, 1,4-anhydro-, 6-(9-octadecenoate), (z)-

Structural Information

Molecular Formula
C24H44O6
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO)C1[C@@H]([C@H](CO1)O)O
InChI
InChI=1S/C24H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)30-21(18-25)24-23(28)20(26)19-29-24/h9-10,20-21,23-26,28H,2-8,11-19H2,1H3/b10-9-/t20-,21+,23+,24?/m0/s1
InChIKey
MPZLHRXPRGLWEB-BFWOXRRGSA-N
Compound name
[(1R)-1-[(3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.31378 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.321056 214.2
[M+Na]+ 451.302998 213.1
[M-H]- 427.306504 211.2
[M+NH4]+ 446.347603 222.3
[M+K]+ 467.276938 209.6
[M+H-H2O]+ 411.311040 206.9
[M+HCOO]- 473.311981 225.5
[M+CH3COO]- 487.327631 222.8
[M+Na-2H]- 449.288446 206.6
[M]+ 428.31323142 218.8
[M]- 428.31432858 218.8
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.