CID 3000563

2-(dimethylamino)pyridine-4-carbothioamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

181.06737 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.07465 137.4
[M+Na]+ 204.05659 144.9
[M-H]- 180.06009 141.0
[M+NH4]+ 199.10119 156.5
[M+K]+ 220.03053 142.6
[M+H-H2O]+ 164.06463 130.3
[M+HCOO]- 226.06557 156.5
[M+CH3COO]- 240.08122 188.3
[M+Na-2H]- 202.04204 140.0
[M]+ 181.06682 137.4
[M]- 181.06792 137.4
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.