CID 4689975

75741-95-6

Structural Information

Molecular Formula

C₁₂H₁₀N₂O₂

SMILES

C1=CC=C(C=C1)NC(=O)OC2=CC=CC=N2

InChI

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

InChIKey

NMQVKCSSLPARTC-UHFFFAOYSA-N

Compound name

pyridin-2-yl N-phenylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 214.07423 Da
Monoisotopic Mass: 2.3
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]+	215.081506	144.9
[M+Na]+	237.063448	151.6
[M-H]-	213.066954	150.2
[M+NH4]+	232.108053	161.3
[M+K]+	253.037388	148.8
[M+H-H2O]+	197.071490	136.5
[M+HCOO]-	259.072431	169.4
[M+CH3COO]-	273.088081	186.3
[M+Na-2H]-	235.048896	153.4
[M]+	214.07368142	144.4
[M]-	214.07477858	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe