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: 4
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	149.3
[M-H]-	193.09825	145.4
[M+NH4]+	212.13935	161.0
[M+K]+	233.06869	148.3
[M+H-H2O]+	177.10279	136.0
[M+HCOO]-	239.10373	166.0
[M+CH3COO]-	253.11938	185.3
[M+Na-2H]-	215.08020	148.9
[M]+	194.10498	144.1
[M]-	194.10608	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe