CID 71311837

N-(p-coumaroyl)-l-homoserine lactone

Structural Information

Molecular Formula
C13H13NO4
SMILES
C1COC(=O)[C@H]1NC(=O)/C=C/C2=CC=C(C=C2)O
InChI
InChI=1S/C13H13NO4/c15-10-4-1-9(2-5-10)3-6-12(16)14-11-7-8-18-13(11)17/h1-6,11,15H,7-8H2,(H,14,16)/b6-3+/t11-/m0/s1
InChIKey
CCIXZFJYFQJTGK-GQOHGMTASA-N
Compound name
(E)-3-(4-hydroxyphenyl)-N-[(3S)-2-oxooxolan-3-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

247.08446 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.09174 155.9
[M+Na]+ 270.07368 165.3
[M+NH4]+ 265.11828 162.0
[M+K]+ 286.04762 162.6
[M-H]- 246.07718 158.8
[M+Na-2H]- 268.05913 159.7
[M]+ 247.08391 157.6
[M]- 247.08501 157.6
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

No patent data available for this compound.