CID 8702

136-79-8

Structural Information

Molecular Formula

C₈H₁₀N₂O₃

SMILES

CCOC1=C(C=C(C=C1)[N+](=O)[O-])N

InChI

InChI=1S/C8H10N2O3/c1-2-13-8-4-3-6(10(11)12)5-7(8)9/h3-5H,2,9H2,1H3

InChIKey

AMMPGYPPRLWMLW-UHFFFAOYSA-N

Compound name

2-ethoxy-5-nitroaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 77
Patents: 182.06914 Da
Monoisotopic Mass: 1.8
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]+	183.076416	135.1
[M+Na]+	205.058358	142.6
[M-H]-	181.061864	138.8
[M+NH4]+	200.102963	154.0
[M+K]+	221.032298	137.3
[M+H-H2O]+	165.066400	133.7
[M+HCOO]-	227.067341	161.7
[M+CH3COO]-	241.082991	177.9
[M+Na-2H]-	203.043806	142.6
[M]+	182.06859142	133.9
[M]-	182.06968858	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe