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

50
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 138.0
[M+Na]+ 191.02496 149.4
[M-H]- 167.02846 142.2
[M+NH4]+ 186.06956 158.7
[M+K]+ 206.99890 147.0
[M+H-H2O]+ 151.03300 126.2
[M+HCOO]- 213.03394 155.6
[M+CH3COO]- 227.04959 191.4
[M+Na-2H]- 189.01041 139.5
[M]+ 168.03519 135.4
[M]- 168.03629 135.4
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