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

45
Patents

168.03574 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.043016 138.0
[M+Na]+ 191.024958 149.4
[M-H]- 167.028464 142.2
[M+NH4]+ 186.069563 158.7
[M+K]+ 206.998898 147.0
[M+H-H2O]+ 151.033000 126.2
[M+HCOO]- 213.033941 155.6
[M+CH3COO]- 227.049591 191.4
[M+Na-2H]- 189.010406 139.5
[M]+ 168.03519142 135.4
[M]- 168.03628858 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