CID 4611800

2-amino-4-ethyl-5-methyl-3-thiophenecarbonitrile

Structural Information

Molecular Formula
C8H10N2S
SMILES
CCC1=C(SC(=C1C#N)N)C
InChI
InChI=1S/C8H10N2S/c1-3-6-5(2)11-8(10)7(6)4-9/h3,10H2,1-2H3
InChIKey
QJJHYLODDMKXJT-UHFFFAOYSA-N
Compound name
2-amino-4-ethyl-5-methylthiophene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

53
Patents

166.05647 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.063746 139.0
[M+Na]+ 189.045688 150.9
[M-H]- 165.049194 143.4
[M+NH4]+ 184.090293 160.1
[M+K]+ 205.019628 147.9
[M+H-H2O]+ 149.053730 127.5
[M+HCOO]- 211.054671 156.0
[M+CH3COO]- 225.070321 193.3
[M+Na-2H]- 187.031136 139.4
[M]+ 166.05592142 135.8
[M]- 166.05701858 135.8
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