CID 226028

21901-29-1

Structural Information

Molecular Formula

C₆H₇N₃O₂

SMILES

CC1=NC(=C(C=C1)[N+](=O)[O-])N

InChI

InChI=1S/C6H7N3O2/c1-4-2-3-5(9(10)11)6(7)8-4/h2-3H,1H3,(H2,7,8)

InChIKey

LCJXSRQGDONHRK-UHFFFAOYSA-N

Compound name

6-methyl-3-nitropyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 237
Patents: 153.05383 Da
Monoisotopic Mass: 1.3
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]+	154.06111	126.6
[M+Na]+	176.04305	139.7
[M+NH4]+	171.08765	134.6
[M+K]+	192.01699	137.2
[M-H]-	152.04655	129.9
[M+Na-2H]-	174.02850	133.3
[M]+	153.05328	129.1
[M]-	153.05438	129.1

Literature stripe

literature stripe

Patent stripe

patents stripe