CID 291352

4-dimethylamino-2-nitrobenzaldehyde

Structural Information

Molecular Formula

C₉H₁₀N₂O₃

SMILES

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

InChI

InChI=1S/C9H10N2O3/c1-10(2)8-4-3-7(6-12)9(5-8)11(13)14/h3-6H,1-2H3

InChIKey

DHLFXZQEAWYQLC-UHFFFAOYSA-N

Compound name

4-(dimethylamino)-2-nitrobenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 100
Patents: 194.06914 Da
Monoisotopic Mass: 1.4
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]+	195.076416	138.1
[M+Na]+	217.058358	145.7
[M-H]-	193.061864	143.7
[M+NH4]+	212.102963	157.3
[M+K]+	233.032298	141.3
[M+H-H2O]+	177.066400	136.5
[M+HCOO]-	239.067341	165.7
[M+CH3COO]-	253.082991	184.2
[M+Na-2H]-	215.043806	145.4
[M]+	194.06859142	138.8
[M]-	194.06968858	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe