CID 13742380

2-amino-4-ethoxythiophene-3-carbonitrile

Structural Information

Molecular Formula
C7H8N2OS
SMILES
CCOC1=CSC(=C1C#N)N
InChI
InChI=1S/C7H8N2OS/c1-2-10-6-4-11-7(9)5(6)3-8/h4H,2,9H2,1H3
InChIKey
FPLKSYDDWQIJCU-UHFFFAOYSA-N
Compound name
2-amino-4-ethoxythiophene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

168.03574 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04302 130.4
[M+Na]+ 191.02496 140.1
[M+NH4]+ 186.06956 135.6
[M+K]+ 206.99890 131.9
[M-H]- 167.02846 125.1
[M+Na-2H]- 189.01041 132.8
[M]+ 168.03519 129.7
[M]- 168.03629 129.7
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