CID 20999

4867-59-8

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

CC(C)NC(=O)OCC1=CC=NC=C1

InChI

InChI=1S/C10H14N2O2/c1-8(2)12-10(13)14-7-9-3-5-11-6-4-9/h3-6,8H,7H2,1-2H3,(H,12,13)

InChIKey

IQQBQWVYJDCUEB-UHFFFAOYSA-N

Compound name

pyridin-4-ylmethyl N-propan-2-ylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 194.10553 Da
Monoisotopic Mass: 1.2
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]+	195.11281	143.3
[M+Na]+	217.09475	154.0
[M+NH4]+	212.13935	150.3
[M+K]+	233.06869	148.8
[M-H]-	193.09825	144.3
[M+Na-2H]-	215.08020	149.2
[M]+	194.10498	144.8
[M]-	194.10608	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe