CID 3846292

3-amino-4-(ethylamino)benzonitrile

Structural Information

Molecular Formula
C9H11N3
SMILES
CCNC1=C(C=C(C=C1)C#N)N
InChI
InChI=1S/C9H11N3/c1-2-12-9-4-3-7(6-10)5-8(9)11/h3-5,12H,2,11H2,1H3
InChIKey
WHLUSMYQBHWGSV-UHFFFAOYSA-N
Compound name
3-amino-4-(ethylamino)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

161.09529 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.102566 137.2
[M+Na]+ 184.084508 146.5
[M-H]- 160.088014 140.2
[M+NH4]+ 179.129113 155.3
[M+K]+ 200.058448 143.6
[M+H-H2O]+ 144.092550 124.8
[M+HCOO]- 206.093491 159.1
[M+CH3COO]- 220.109141 196.0
[M+Na-2H]- 182.069956 142.7
[M]+ 161.09474142 130.3
[M]- 161.09583858 130.3
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