CID 9883786

N-(3-oxotetradecanoyl)-l-homoserine lactone

Structural Information

Molecular Formula
C18H31NO4
SMILES
CCCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
InChI
InChI=1S/C18H31NO4/c1-2-3-4-5-6-7-8-9-10-11-15(20)14-17(21)19-16-12-13-23-18(16)22/h16H,2-14H2,1H3,(H,19,21)/t16-/m0/s1
InChIKey
YQFJJDSGBAAUPW-INIZCTEOSA-N
Compound name
3-oxo-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

88
Patents

325.2253 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.23258 184.9
[M+Na]+ 348.21452 186.5
[M-H]- 324.21802 186.9
[M+NH4]+ 343.25912 198.7
[M+K]+ 364.18846 184.9
[M+H-H2O]+ 308.22256 177.6
[M+HCOO]- 370.22350 203.7
[M+CH3COO]- 384.23915 211.9
[M+Na-2H]- 346.19997 182.4
[M]+ 325.22475 188.3
[M]- 325.22585 188.3
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