CID 24700033

2-(ethylamino)pyridine-4-carbothioamide

Structural Information

Molecular Formula
C8H11N3S
SMILES
CCNC1=NC=CC(=C1)C(=S)N
InChI
InChI=1S/C8H11N3S/c1-2-10-7-5-6(8(9)12)3-4-11-7/h3-5H,2H2,1H3,(H2,9,12)(H,10,11)
InChIKey
NIXNAGLBWHHCLB-UHFFFAOYSA-N
Compound name
2-(ethylamino)pyridine-4-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.06737 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.074646 137.0
[M+Na]+ 204.056588 144.4
[M-H]- 180.060094 139.1
[M+NH4]+ 199.101193 155.5
[M+K]+ 220.030528 140.6
[M+H-H2O]+ 164.064630 130.2
[M+HCOO]- 226.065571 155.7
[M+CH3COO]- 240.081221 184.9
[M+Na-2H]- 202.042036 140.4
[M]+ 181.06682142 135.7
[M]- 181.06791858 135.7
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

No patent data available for this compound.