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]+ 258.17000 164.4
[M+Na]+ 280.15194 167.2
[M-H]- 256.15544 166.1
[M+NH4]+ 275.19654 180.3
[M+K]+ 296.12588 167.1
[M+H-H2O]+ 240.15998 158.3
[M+HCOO]- 302.16092 182.1
[M+CH3COO]- 316.17657 196.2
[M+Na-2H]- 278.13739 162.7
[M]+ 257.16217 164.2
[M]- 257.16327 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.