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

6
Patents

180.07211 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.079386 137.6
[M+Na]+ 203.061328 144.8
[M-H]- 179.064834 141.5
[M+NH4]+ 198.105933 157.3
[M+K]+ 219.035268 142.9
[M+H-H2O]+ 163.069370 130.7
[M+HCOO]- 225.070311 156.3
[M+CH3COO]- 239.085961 185.4
[M+Na-2H]- 201.046776 141.1
[M]+ 180.07156142 139.3
[M]- 180.07265858 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