CID 3038179

2-pyridineacetamide, alpha-isobutylthio-

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

1
Patents

208.10342 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.110696 147.3
[M+Na]+ 231.092638 152.7
[M-H]- 207.096144 148.8
[M+NH4]+ 226.137243 164.6
[M+K]+ 247.066578 149.5
[M+H-H2O]+ 191.100680 140.3
[M+HCOO]- 253.101621 162.1
[M+CH3COO]- 267.117271 189.6
[M+Na-2H]- 229.078086 147.2
[M]+ 208.10287142 146.3
[M]- 208.10396858 146.3
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