CID 10058590

N-hexanoyl-l-homoserine lactone

Structural Information

Molecular Formula
C10H17NO3
SMILES
CCCCCC(=O)N[C@H]1CCOC1=O
InChI
InChI=1S/C10H17NO3/c1-2-3-4-5-9(12)11-8-6-7-14-10(8)13/h8H,2-7H2,1H3,(H,11,12)/t8-/m0/s1
InChIKey
ZJFKKPDLNLCPNP-QMMMGPOBSA-N
Compound name
N-[(3S)-2-oxooxolan-3-yl]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

62
References

578
Patents

199.12085 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12813 146.2
[M+Na]+ 222.11007 151.3
[M-H]- 198.11357 149.6
[M+NH4]+ 217.15467 165.4
[M+K]+ 238.08401 151.2
[M+H-H2O]+ 182.11811 140.3
[M+HCOO]- 244.11905 168.2
[M+CH3COO]- 258.13470 185.7
[M+Na-2H]- 220.09552 149.0
[M]+ 199.12030 146.6
[M]- 199.12140 146.6
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