CID 5362708

19780-11-1

Structural Information

Molecular Formula
C16H26O3
SMILES
CCCCCCCCC/C=C/CC1CC(=O)OC1=O
InChI
InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18/h10-11,14H,2-9,12-13H2,1H3/b11-10+
InChIKey
UYCICMIUKYEYEU-ZHACJKMWSA-N
Compound name
3-[(E)-dodec-2-enyl]oxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

1464
Patents

266.1882 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.19548 167.4
[M+Na]+ 289.17742 175.9
[M+NH4]+ 284.22202 173.3
[M+K]+ 305.15136 170.7
[M-H]- 265.18092 168.2
[M+Na-2H]- 287.16287 167.9
[M]+ 266.18765 168.4
[M]- 266.18875 168.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe