CID 72212696

1196151-92-4

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₃

SMILES

CC(C)(C)OC(=O)NC1=CC(=NC=C1)C=O

InChI

InChI=1S/C11H14N2O3/c1-11(2,3)16-10(15)13-8-4-5-12-9(6-8)7-14/h4-7H,1-3H3,(H,12,13,15)

InChIKey

XLFQEAUCYICLJM-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-formylpyridin-4-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 222.10045 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]+	223.10773	149.1
[M+Na]+	245.08967	156.6
[M-H]-	221.09317	151.7
[M+NH4]+	240.13427	166.1
[M+K]+	261.06361	155.4
[M+H-H2O]+	205.09771	142.4
[M+HCOO]-	267.09865	171.4
[M+CH3COO]-	281.11430	189.5
[M+Na-2H]-	243.07512	155.6
[M]+	222.09990	151.5
[M]-	222.10100	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe