CID 98821

51581-32-9

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

CN(C)C(=O)OC1=CN=CC=C1

InChI

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

InChIKey

VZELUFSMNDBCBO-UHFFFAOYSA-N

Compound name

pyridin-3-yl N,N-dimethylcarbamate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 130
Patents: 166.07423 Da
Monoisotopic Mass: 0.6
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]+	167.081506	133.3
[M+Na]+	189.063448	140.6
[M-H]-	165.066954	137.2
[M+NH4]+	184.108053	152.9
[M+K]+	205.037388	141.1
[M+H-H2O]+	149.071490	126.2
[M+HCOO]-	211.072431	158.2
[M+CH3COO]-	225.088081	181.9
[M+Na-2H]-	187.048896	140.5
[M]+	166.07368142	135.3
[M]-	166.07477858	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe