CID 5271640

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

Structural Information

Molecular Formula
C9H10N2S2
SMILES
CCCN=C1C2=C(N=CC=C2)SS1
InChI
InChI=1S/C9H10N2S2/c1-2-5-10-8-7-4-3-6-11-9(7)13-12-8/h3-4,6H,2,5H2,1H3
InChIKey
CSNKJJJGIVRUTO-UHFFFAOYSA-N
Compound name
N-propyldithiolo[3,4-b]pyridin-3-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

210.02853 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.03581 139.0
[M+Na]+ 233.01775 151.0
[M-H]- 209.02125 144.5
[M+NH4]+ 228.06235 161.4
[M+K]+ 248.99169 146.4
[M+H-H2O]+ 193.02579 133.3
[M+HCOO]- 255.02673 156.4
[M+CH3COO]- 269.04238 153.5
[M+Na-2H]- 231.00320 143.5
[M]+ 210.02798 144.7
[M]- 210.02908 144.7
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.