CID 165768965

Tert-butyl n-[(4-hydroxypyridin-2-yl)methyl]carbamate

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₃

SMILES

CC(C)(C)OC(=O)NCC1=CC(=O)C=CN1

InChI

InChI=1S/C11H16N2O3/c1-11(2,3)16-10(15)13-7-8-6-9(14)4-5-12-8/h4-6H,7H2,1-3H3,(H,12,14)(H,13,15)

InChIKey

WMPATAMXJNYTQV-UHFFFAOYSA-N

Compound name

tert-butyl N-[(4-oxo-1H-pyridin-2-yl)methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 224.11609 Da
Monoisotopic Mass: 0.7
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]+	225.123366	150.2
[M+Na]+	247.105308	157.2
[M-H]-	223.108814	151.4
[M+NH4]+	242.149913	166.5
[M+K]+	263.079248	155.1
[M+H-H2O]+	207.113350	143.8
[M+HCOO]-	269.114291	170.9
[M+CH3COO]-	283.129941	187.1
[M+Na-2H]-	245.090756	156.1
[M]+	224.11554142	150.7
[M]-	224.11663858	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.