CID 3038179

32081-40-6

Structural Information

Molecular Formula
C11H16N2S
SMILES
CC(C)CC(C1=CC=CC=N1)C(=S)N
InChI
InChI=1S/C11H16N2S/c1-8(2)7-9(11(12)14)10-5-3-4-6-13-10/h3-6,8-9H,7H2,1-2H3,(H2,12,14)
InChIKey
ZLCUCARGQQKEGI-UHFFFAOYSA-N
Compound name
4-methyl-2-pyridin-2-ylpentanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.10342 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.11070 147.3
[M+Na]+ 231.09264 157.4
[M+NH4]+ 226.13724 155.3
[M+K]+ 247.06658 150.1
[M-H]- 207.09614 149.1
[M+Na-2H]- 229.07809 152.3
[M]+ 208.10287 149.5
[M]- 208.10397 149.5
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.