CID 207982

31329-87-0

Structural Information

Molecular Formula
C10H14N2S
SMILES
CC1=NC(=CC=C1)CC(=S)N(C)C
InChI
InChI=1S/C10H14N2S/c1-8-5-4-6-9(11-8)7-10(13)12(2)3/h4-6H,7H2,1-3H3
InChIKey
LONOFDILBMBXAF-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(6-methylpyridin-2-yl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.08777 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.09505 141.6
[M+Na]+ 217.07699 149.2
[M-H]- 193.08049 145.6
[M+NH4]+ 212.12159 161.0
[M+K]+ 233.05093 147.1
[M+H-H2O]+ 177.08503 134.7
[M+HCOO]- 239.08597 159.8
[M+CH3COO]- 253.10162 189.5
[M+Na-2H]- 215.06244 143.8
[M]+ 194.08722 144.1
[M]- 194.08832 144.1
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.