CID 171120639

N-(7-methyloctanoyl)homoserine lactone

Structural Information

Molecular Formula
C13H23NO3
SMILES
CC(C)CCCCCC(=O)NC1CCOC1=O
InChI
InChI=1S/C13H23NO3/c1-10(2)6-4-3-5-7-12(15)14-11-8-9-17-13(11)16/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKey
KUHGURYHJUOXBF-UHFFFAOYSA-N
Compound name
7-methyl-N-(2-oxooxolan-3-yl)octanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.1678 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.17508 160.9
[M+Na]+ 264.15702 164.5
[M-H]- 240.16052 163.9
[M+NH4]+ 259.20162 178.4
[M+K]+ 280.13096 164.2
[M+H-H2O]+ 224.16506 154.6
[M+HCOO]- 286.16600 181.0
[M+CH3COO]- 300.18165 195.6
[M+Na-2H]- 262.14247 160.8
[M]+ 241.16725 161.8
[M]- 241.16835 161.8
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.