CID 57347624

Chebi:74974

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
1
Annotation Hits

0
References

8
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

literature stripe

Patent stripe

patents stripe