CID 6105823

Nsc625301

Structural Information

Molecular Formula

C₁₀H₁₁NO₃

SMILES

CC(=O)N/C=C/C1=C(C=CC(=C1)O)O

InChI

InChI=1S/C10H11NO3/c1-7(12)11-5-4-8-6-9(13)2-3-10(8)14/h2-6,13-14H,1H3,(H,11,12)/b5-4+

InChIKey

TYVCZBIWWRZZHO-SNAWJCMRSA-N

Compound name

N-[(E)-2-(2,5-dihydroxyphenyl)ethenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 193.0739 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	194.08118	140.6
[M+Na]+	216.06312	148.1
[M-H]-	192.06662	142.0
[M+NH4]+	211.10772	158.7
[M+K]+	232.03706	145.0
[M+H-H2O]+	176.07116	135.1
[M+HCOO]-	238.07210	162.9
[M+CH3COO]-	252.08775	180.4
[M+Na-2H]-	214.04857	144.9
[M]+	193.07335	139.2
[M]-	193.07445	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe