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

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe