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

110
Patents

150.07932 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.086596 130.4
[M+Na]+ 173.068538 138.4
[M-H]- 149.072044 133.8
[M+NH4]+ 168.113143 150.9
[M+K]+ 189.042478 136.4
[M+H-H2O]+ 133.076580 124.7
[M+HCOO]- 195.077521 155.5
[M+CH3COO]- 209.093171 181.1
[M+Na-2H]- 171.053986 134.8
[M]+ 150.07877142 127.2
[M]- 150.07986858 127.2
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