CID 171120634

N-(3-hydroxy-7-methyloctanoyl)homoserine lactone

Structural Information

Molecular Formula
C13H23NO4
SMILES
CC(C)CCCC(CC(=O)NC1CCOC1=O)O
InChI
InChI=1S/C13H23NO4/c1-9(2)4-3-5-10(15)8-12(16)14-11-6-7-18-13(11)17/h9-11,15H,3-8H2,1-2H3,(H,14,16)
InChIKey
VLVJDEHIZAYVSX-UHFFFAOYSA-N
Compound name
3-hydroxy-7-methyl-N-(2-oxooxolan-3-yl)octanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.16272 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.169996 164.4
[M+Na]+ 280.151938 167.2
[M-H]- 256.155444 166.1
[M+NH4]+ 275.196543 180.3
[M+K]+ 296.125878 167.1
[M+H-H2O]+ 240.159980 158.3
[M+HCOO]- 302.160921 182.1
[M+CH3COO]- 316.176571 196.2
[M+Na-2H]- 278.137386 162.7
[M]+ 257.16217142 164.2
[M]- 257.16326858 164.2
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.