CID 5271642

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

Structural Information

Molecular Formula
C11H14N2S2
SMILES
CCCCCN=C1C2=C(N=CC=C2)SS1
InChI
InChI=1S/C11H14N2S2/c1-2-3-4-7-12-10-9-6-5-8-13-11(9)15-14-10/h5-6,8H,2-4,7H2,1H3
InChIKey
BJOWYLLUIZSGDS-UHFFFAOYSA-N
Compound name
N-pentyldithiolo[3,4-b]pyridin-3-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

238.05984 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.06712 147.6
[M+Na]+ 261.04906 158.7
[M-H]- 237.05256 152.7
[M+NH4]+ 256.09366 168.8
[M+K]+ 277.02300 153.6
[M+H-H2O]+ 221.05710 141.5
[M+HCOO]- 283.05804 164.4
[M+CH3COO]- 297.07369 161.2
[M+Na-2H]- 259.03451 151.2
[M]+ 238.05929 153.9
[M]- 238.06039 153.9
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.