CID 10221437

N-dodecanoyl-l-homoserine lactone

Structural Information

Molecular Formula
C16H29NO3
SMILES
CCCCCCCCCCCC(=O)N[C@H]1CCOC1=O
InChI
InChI=1S/C16H29NO3/c1-2-3-4-5-6-7-8-9-10-11-15(18)17-14-12-13-20-16(14)19/h14H,2-13H2,1H3,(H,17,18)/t14-/m0/s1
InChIKey
WILLZMOKUUPJSL-AWEZNQCLSA-N
Compound name
N-[(3S)-2-oxooxolan-3-yl]dodecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

126
Patents

283.21475 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.22203 173.8
[M+Na]+ 306.20397 176.4
[M-H]- 282.20747 176.2
[M+NH4]+ 301.24857 189.7
[M+K]+ 322.17791 174.8
[M+H-H2O]+ 266.21201 166.9
[M+HCOO]- 328.21295 193.9
[M+CH3COO]- 342.22860 203.8
[M+Na-2H]- 304.18942 173.4
[M]+ 283.21420 176.4
[M]- 283.21530 176.4
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