CID 766500

54287-92-2

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

CCOC(=O)NC1=CC=NC=C1

InChI

InChI=1S/C8H10N2O2/c1-2-12-8(11)10-7-3-5-9-6-4-7/h3-6H,2H2,1H3,(H,9,10,11)

InChIKey

RPJQHJLOMYJUHA-UHFFFAOYSA-N

Compound name

ethyl N-pyridin-4-ylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 69
Patents: 166.07423 Da
Monoisotopic Mass: 1.3
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]+	167.08151	133.6
[M+Na]+	189.06345	140.7
[M-H]-	165.06695	135.9
[M+NH4]+	184.10805	152.5
[M+K]+	205.03739	139.8
[M+H-H2O]+	149.07149	126.6
[M+HCOO]-	211.07243	158.0
[M+CH3COO]-	225.08808	178.4
[M+Na-2H]-	187.04890	141.5
[M]+	166.07368	134.3
[M]-	166.07478	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe