CID 688117

Ethyl 4-hydroxybenzimidate hydrochloride

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

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

InChI

InChI=1S/C9H11NO2/c1-2-12-9(10)7-3-5-8(11)6-4-7/h3-6,10-11H,2H2,1H3

InChIKey

DMZBPAYBICWGIH-UHFFFAOYSA-N

Compound name

ethyl 4-hydroxybenzenecarboximidate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 90
Patents: 165.07898 Da
Monoisotopic Mass: 2.6
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]+	166.08626	134.6
[M+Na]+	188.06820	145.9
[M+NH4]+	183.11280	142.4
[M+K]+	204.04214	140.5
[M-H]-	164.07170	136.3
[M+Na-2H]-	186.05365	140.8
[M]+	165.07843	136.5
[M]-	165.07953	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe