CID 57347624

N-(4-coumaroyl)-l-homoserine lactone

Structural Information

Molecular Formula
C13H13NO4
SMILES
C1COC(=O)[C@H]1NC(=O)C=CC2=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)/t11-/m0/s1
InChIKey
CCIXZFJYFQJTGK-NSHDSACASA-N
Compound name
3-(4-hydroxyphenyl)-N-[(3S)-2-oxooxolan-3-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

16
Patents

247.08446 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.091736 154.2
[M+Na]+ 270.073678 160.2
[M-H]- 246.077184 160.2
[M+NH4]+ 265.118283 170.7
[M+K]+ 286.047618 158.0
[M+H-H2O]+ 230.081720 147.7
[M+HCOO]- 292.082661 175.9
[M+CH3COO]- 306.098311 189.9
[M+Na-2H]- 268.059126 156.8
[M]+ 247.08391142 152.5
[M]- 247.08500858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.