CID 66769741

N-(3-hydroxy-octanoyl)-homoserine lactone

Structural Information

Molecular Formula
C12H21NO4
SMILES
CCCCCC(CC(=O)N[C@H]1CCOC1=O)O
InChI
InChI=1S/C12H21NO4/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h9-10,14H,2-8H2,1H3,(H,13,15)/t9?,10-/m0/s1
InChIKey
XCZVBYOXRSFQBH-AXDSSHIGSA-N
Compound name
3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]octanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

243.14706 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.154336 159.2
[M+Na]+ 266.136278 162.6
[M-H]- 242.139784 160.9
[M+NH4]+ 261.180883 175.7
[M+K]+ 282.110218 162.2
[M+H-H2O]+ 226.144320 153.1
[M+HCOO]- 288.145261 178.2
[M+CH3COO]- 302.160911 192.3
[M+Na-2H]- 264.121726 159.3
[M]+ 243.14651142 159.2
[M]- 243.14760858 159.2
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

patents stripe