CID 285303

25864-34-0

Structural Information

Molecular Formula

C₆H₆N₄O₄

SMILES

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

InChI

InChI=1S/C6H6N4O4/c1-3-4(9(11)12)2-5(10(13)14)6(7)8-3/h2H,1H3,(H2,7,8)

InChIKey

KWYALJWSYDOZON-UHFFFAOYSA-N

Compound name

6-methyl-3,5-dinitropyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 198.03891 Da
Monoisotopic Mass: 1.1
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]+	199.04619	139.7
[M+Na]+	221.02813	152.4
[M+NH4]+	216.07273	146.2
[M+K]+	237.00207	153.2
[M-H]-	197.03163	143.3
[M+Na-2H]-	219.01358	144.4
[M]+	198.03836	142.0
[M]-	198.03946	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe