CID 201659

3-pyridylmethyl 3-pyridinecarbamate

Structural Information

Molecular Formula
C12H11N3O2
SMILES
C1=CC(=CN=C1)COC(=O)NC2=CN=CC=C2
InChI
InChI=1S/C12H11N3O2/c16-12(15-11-4-2-6-14-8-11)17-9-10-3-1-5-13-7-10/h1-8H,9H2,(H,15,16)
InChIKey
UYQQTLCAFRGIGI-UHFFFAOYSA-N
Compound name
pyridin-3-ylmethyl N-pyridin-3-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.08513 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.092406 149.2
[M+Na]+ 252.074348 155.8
[M-H]- 228.077854 153.0
[M+NH4]+ 247.118953 163.5
[M+K]+ 268.048288 152.8
[M+H-H2O]+ 212.082390 139.7
[M+HCOO]- 274.083331 172.3
[M+CH3COO]- 288.098981 189.0
[M+Na-2H]- 250.059796 157.9
[M]+ 229.08458142 149.1
[M]- 229.08567858 149.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.