CID 155670185

Tert-butyl n-(6-formylpyridin-2-yl)-n-methylcarbamate

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₃

SMILES

CC(C)(C)OC(=O)N(C)C1=CC=CC(=N1)C=O

InChI

InChI=1S/C12H16N2O3/c1-12(2,3)17-11(16)14(4)10-7-5-6-9(8-15)13-10/h5-8H,1-4H3

InChIKey

ZVAPBLQBPQHGJR-UHFFFAOYSA-N

Compound name

tert-butyl N-(6-formyl-2-pyridinyl)-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 236.11609 Da
Monoisotopic Mass: 1.7
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]+	237.123366	152.6
[M+Na]+	259.105308	159.9
[M-H]-	235.108814	156.6
[M+NH4]+	254.149913	169.7
[M+K]+	275.079248	159.8
[M+H-H2O]+	219.113350	145.7
[M+HCOO]-	281.114291	175.1
[M+CH3COO]-	295.129941	196.0
[M+Na-2H]-	257.090756	158.0
[M]+	236.11554142	156.7
[M]-	236.11663858	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe