CID 6450476

2,5-furandione, dihydro-3-(1-pentyl-2-heptenyl)-

Structural Information

Molecular Formula
C16H26O3
SMILES
CCCCC[C@H](/C=C/CCCC)[C@@H]1CC(=O)OC1=O
InChI
InChI=1S/C16H26O3/c1-3-5-7-9-11-13(10-8-6-4-2)14-12-15(17)19-16(14)18/h9,11,13-14H,3-8,10,12H2,1-2H3/b11-9+/t13-,14+/m1/s1
InChIKey
BNJFXDUGMUFRSZ-CACDNMLQSA-N
Compound name
(3S)-3-[(E,6R)-dodec-7-en-6-yl]oxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1882 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.195476 167.4
[M+Na]+ 289.177418 172.2
[M-H]- 265.180924 170.4
[M+NH4]+ 284.222023 184.7
[M+K]+ 305.151358 170.2
[M+H-H2O]+ 249.185460 161.6
[M+HCOO]- 311.186401 186.7
[M+CH3COO]- 325.202051 199.2
[M+Na-2H]- 287.162866 166.2
[M]+ 266.18765142 170.6
[M]- 266.18874858 170.6
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.