CID 5363527

Looplure

Structural Information

Molecular Formula
C14H26O2
SMILES
CCCC/C=C\CCCCCCOC(=O)C
InChI
InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h6-7H,3-5,8-13H2,1-2H3/b7-6-
InChIKey
MUZGQHWTRUVFLG-SREVYHEPSA-N
Compound name
[(Z)-dodec-7-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

3
References

4291
Patents

226.19328 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.20056 159.4
[M+Na]+ 249.18250 163.9
[M-H]- 225.18600 158.5
[M+NH4]+ 244.22710 177.9
[M+K]+ 265.15644 161.8
[M+H-H2O]+ 209.19054 153.6
[M+HCOO]- 271.19148 180.5
[M+CH3COO]- 285.20713 193.0
[M+Na-2H]- 247.16795 161.0
[M]+ 226.19273 164.5
[M]- 226.19383 164.5
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