CID 252525

110520-86-0

Structural Information

Molecular Formula

C₁₂H₁₀N₂O₂

SMILES

C1=CC=C(C=C1)NC(=O)OC2=CN=CC=C2

InChI

InChI=1S/C12H10N2O2/c15-12(14-10-5-2-1-3-6-10)16-11-7-4-8-13-9-11/h1-9H,(H,14,15)

InChIKey

UPRPNGGSKFBCOW-UHFFFAOYSA-N

Compound name

pyridin-3-yl N-phenylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 21
Patents: 214.07423 Da
Monoisotopic Mass: 2.2
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]+	215.08151	144.9
[M+Na]+	237.06345	151.6
[M-H]-	213.06695	150.2
[M+NH4]+	232.10805	161.3
[M+K]+	253.03739	148.8
[M+H-H2O]+	197.07149	136.5
[M+HCOO]-	259.07243	169.4
[M+CH3COO]-	273.08808	186.3
[M+Na-2H]-	235.04890	153.4
[M]+	214.07368	144.4
[M]-	214.07478	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe