CID 15680119

2-amino-5-ethylthiophene-3-carbonitrile

Structural Information

Molecular Formula
C7H8N2S
SMILES
CCC1=CC(=C(S1)N)C#N
InChI
InChI=1S/C7H8N2S/c1-2-6-3-5(4-8)7(9)10-6/h3H,2,9H2,1H3
InChIKey
DEYFOBPFHOSFPH-UHFFFAOYSA-N
Compound name
2-amino-5-ethylthiophene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

152.04082 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.04810 127.4
[M+Na]+ 175.03004 137.6
[M+NH4]+ 170.07464 133.2
[M+K]+ 191.00398 128.9
[M-H]- 151.03354 122.7
[M+Na-2H]- 173.01549 130.3
[M]+ 152.04027 127.0
[M]- 152.04137 127.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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