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
2
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 154.2
[M+Na]+ 270.07368 160.2
[M-H]- 246.07718 160.2
[M+NH4]+ 265.11828 170.7
[M+K]+ 286.04762 158.0
[M+H-H2O]+ 230.08172 147.7
[M+HCOO]- 292.08266 175.9
[M+CH3COO]- 306.09831 189.9
[M+Na-2H]- 268.05913 156.8
[M]+ 247.08391 152.5
[M]- 247.08501 152.5
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