CID 171120635

N-(3-oxo-5z-dodecenoyl)-homoserine lactone

Structural Information

Molecular Formula
C16H25NO4
SMILES
CCCCCC/C=C\CC(=O)CC(=O)N[C@H]1CCC(=O)O1
InChI
InChI=1S/C16H25NO4/c1-2-3-4-5-6-7-8-9-13(18)12-14(19)17-15-10-11-16(20)21-15/h7-8,15H,2-6,9-12H2,1H3,(H,17,19)/b8-7-/t15-/m1/s1
InChIKey
GSYMCMFUEWHHKD-ZPIQOJFGSA-N
Compound name
(Z)-3-oxo-N-[(2R)-5-oxooxolan-2-yl]dodec-5-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.17834 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.18562 174.6
[M+Na]+ 318.16756 177.5
[M-H]- 294.17106 177.1
[M+NH4]+ 313.21216 189.7
[M+K]+ 334.14150 175.8
[M+H-H2O]+ 278.17560 167.8
[M+HCOO]- 340.17654 194.3
[M+CH3COO]- 354.19219 204.5
[M+Na-2H]- 316.15301 173.2
[M]+ 295.17779 176.6
[M]- 295.17889 176.6
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.