CID 218566

40808-67-1

Structural Information

Molecular Formula
C9H12N2S
SMILES
CN(C)C(=S)CC1=CC=CC=N1
InChI
InChI=1S/C9H12N2S/c1-11(2)9(12)7-8-5-3-4-6-10-8/h3-6H,7H2,1-2H3
InChIKey
MQYNCHTZNVAJLR-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-pyridin-2-ylethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

180.07211 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.07939 137.6
[M+Na]+ 203.06133 144.8
[M-H]- 179.06483 141.5
[M+NH4]+ 198.10593 157.3
[M+K]+ 219.03527 142.9
[M+H-H2O]+ 163.06937 130.7
[M+HCOO]- 225.07031 156.3
[M+CH3COO]- 239.08596 185.4
[M+Na-2H]- 201.04678 141.1
[M]+ 180.07156 139.3
[M]- 180.07266 139.3
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

patents stripe