CID 443437

N-heptanoyl-l-homoserine lactone

Structural Information

Molecular Formula
C11H19NO3
SMILES
CCCCCCC(=O)N[C@H]1CCOC1=O
InChI
InChI=1S/C11H19NO3/c1-2-3-4-5-6-10(13)12-9-7-8-15-11(9)14/h9H,2-8H2,1H3,(H,12,13)/t9-/m0/s1
InChIKey
FTMZLSDESAOPSZ-VIFPVBQESA-N
Compound name
N-[(3S)-2-oxooxolan-3-yl]heptanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

84
Patents

213.13649 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.14377 150.8
[M+Na]+ 236.12571 155.5
[M-H]- 212.12921 154.1
[M+NH4]+ 231.17031 169.5
[M+K]+ 252.09965 155.2
[M+H-H2O]+ 196.13375 144.8
[M+HCOO]- 258.13469 172.6
[M+CH3COO]- 272.15034 188.7
[M+Na-2H]- 234.11116 153.1
[M]+ 213.13594 151.6
[M]- 213.13704 151.6
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