CID 10131281

N-decanoyl-l-homoserine lactone

Structural Information

Molecular Formula
C14H25NO3
SMILES
CCCCCCCCCC(=O)N[C@H]1CCOC1=O
InChI
InChI=1S/C14H25NO3/c1-2-3-4-5-6-7-8-9-13(16)15-12-10-11-18-14(12)17/h12H,2-11H2,1H3,(H,15,16)/t12-/m0/s1
InChIKey
TZWZKDULKILUPV-LBPRGKRZSA-N
Compound name
N-[(3S)-2-oxooxolan-3-yl]decanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

205
Patents

255.18344 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.19072 164.7
[M+Na]+ 278.17266 168.1
[M-H]- 254.17616 167.4
[M+NH4]+ 273.21726 181.7
[M+K]+ 294.14660 167.0
[M+H-H2O]+ 238.18070 158.1
[M+HCOO]- 300.18164 185.4
[M+CH3COO]- 314.19729 197.8
[M+Na-2H]- 276.15811 165.4
[M]+ 255.18289 166.6
[M]- 255.18399 166.6
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