CID 11356

5-methyl-2-nitroaniline

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

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

InChI

InChI=1S/C7H8N2O2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,8H2,1H3

InChIKey

IGDYNWKWXUCIJB-UHFFFAOYSA-N

Compound name

5-methyl-2-nitroaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 428
Patents: 152.05858 Da
Monoisotopic Mass: 2.0
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]+	153.06586	127.4
[M+Na]+	175.04780	140.6
[M+NH4]+	170.09240	136.1
[M+K]+	191.02174	137.5
[M-H]-	151.05130	131.5
[M+Na-2H]-	173.03325	134.3
[M]+	152.05803	130.2
[M]-	152.05913	130.2

Literature stripe

literature stripe

Patent stripe

patents stripe