CID 7447

2-methoxy-5-nitroaniline

Structural Information

Molecular Formula

C₇H₈N₂O₃

SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N

InChI

InChI=1S/C7H8N2O3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,8H2,1H3

InChIKey

NIPDVSLAMPAWTP-UHFFFAOYSA-N

Compound name

2-methoxy-5-nitroaniline

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 9
References: 1618
Patents: 168.0535 Da
Monoisotopic Mass: 1.5
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]+	169.06078	130.5
[M+Na]+	191.04272	143.2
[M+NH4]+	186.08732	138.6
[M+K]+	207.01666	140.6
[M-H]-	167.04622	134.1
[M+Na-2H]-	189.02817	136.9
[M]+	168.05295	133.1
[M]-	168.05405	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe