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]+ 182.07465 137.0
[M+Na]+ 204.05659 144.4
[M-H]- 180.06009 139.1
[M+NH4]+ 199.10119 155.5
[M+K]+ 220.03053 140.6
[M+H-H2O]+ 164.06463 130.2
[M+HCOO]- 226.06557 155.7
[M+CH3COO]- 240.08122 184.9
[M+Na-2H]- 202.04204 140.4
[M]+ 181.06682 135.7
[M]- 181.06792 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.