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 135.5
[M+Na]+ 175.03004 147.1
[M-H]- 151.03354 139.8
[M+NH4]+ 170.07464 156.8
[M+K]+ 191.00398 144.2
[M+H-H2O]+ 135.03808 123.9
[M+HCOO]- 197.03902 152.8
[M+CH3COO]- 211.05467 189.6
[M+Na-2H]- 173.01549 136.9
[M]+ 152.04027 131.6
[M]- 152.04137 131.6
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

patents stripe