CID 432723

1-(3,4-diaminophenyl)ethanone

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

CC(=O)C1=CC(=C(C=C1)N)N

InChI

InChI=1S/C8H10N2O/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,9-10H2,1H3

InChIKey

FFVSGYAQHXJFAL-UHFFFAOYSA-N

Compound name

1-(3,4-diaminophenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
Patents: 150.07932 Da
Monoisotopic Mass: 0.3
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]+	151.08660	130.5
[M+Na]+	173.06854	141.5
[M+NH4]+	168.11314	138.6
[M+K]+	189.04248	136.6
[M-H]-	149.07204	133.3
[M+Na-2H]-	171.05399	136.6
[M]+	150.07877	132.6
[M]-	150.07987	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe