CID 3246941

N-3-oxo-dodecanoyl-l-homoserine lactone

Structural Information

Molecular Formula
C16H27NO4
SMILES
CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
InChI
InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H,2-12H2,1H3,(H,17,19)/t14-/m0/s1
InChIKey
PHSRRHGYXQCRPU-AWEZNQCLSA-N
Compound name
3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

200
References

3182
Patents

297.194 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.201276 175.8
[M+Na]+ 320.183218 178.2
[M-H]- 296.186724 178.2
[M+NH4]+ 315.227823 190.8
[M+K]+ 336.157158 177.1
[M+H-H2O]+ 280.191260 168.8
[M+HCOO]- 342.192201 195.2
[M+CH3COO]- 356.207851 205.9
[M+Na-2H]- 318.168666 174.3
[M]+ 297.19345142 178.5
[M]- 297.19454858 178.5
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