CID 5271641

N-butyldithiolo[3,4-b]pyridin-3-imine

Structural Information

Molecular Formula
C10H12N2S2
SMILES
CCCCN=C1C2=C(N=CC=C2)SS1
InChI
InChI=1S/C10H12N2S2/c1-2-3-6-11-9-8-5-4-7-12-10(8)14-13-9/h4-5,7H,2-3,6H2,1H3
InChIKey
VSVBTHVUUJVJQA-UHFFFAOYSA-N
Compound name
N-butyldithiolo[3,4-b]pyridin-3-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

224.04419 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.05147 143.3
[M+Na]+ 247.03341 154.9
[M-H]- 223.03691 148.6
[M+NH4]+ 242.07801 165.1
[M+K]+ 263.00735 150.0
[M+H-H2O]+ 207.04145 137.4
[M+HCOO]- 269.04239 160.4
[M+CH3COO]- 283.05804 157.3
[M+Na-2H]- 245.01886 147.4
[M]+ 224.04364 149.3
[M]- 224.04474 149.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.