CID 12558370

1-methyl-1h-imidazo[4,5-c]pyridine-2-thiol

Structural Information

Molecular Formula
C7H7N3S
SMILES
CN1C2=C(C=NC=C2)NC1=S
InChI
InChI=1S/C7H7N3S/c1-10-6-2-3-8-4-5(6)9-7(10)11/h2-4H,1H3,(H,9,11)
InChIKey
GCYONDMJGUUSSV-UHFFFAOYSA-N
Compound name
1-methyl-3H-imidazo[4,5-c]pyridine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

165.03607 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.043346 129.7
[M+Na]+ 188.025288 143.2
[M-H]- 164.028794 130.6
[M+NH4]+ 183.069893 150.1
[M+K]+ 203.999228 138.3
[M+H-H2O]+ 148.033330 123.8
[M+HCOO]- 210.034271 147.0
[M+CH3COO]- 224.049921 144.0
[M+Na-2H]- 186.010736 135.0
[M]+ 165.03552142 132.3
[M]- 165.03661858 132.3
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