CID 28413409

6-(tert-butylsulfanyl)pyridine-3-carboximidamide hydrochloride

Structural Information

Molecular Formula
C10H15N3S
SMILES
CC(C)(C)SC1=NC=C(C=C1)C(=N)N
InChI
InChI=1S/C10H15N3S/c1-10(2,3)14-8-5-4-7(6-13-8)9(11)12/h4-6H,1-3H3,(H3,11,12)
InChIKey
NXVRNYNUYPIJQK-UHFFFAOYSA-N
Compound name
6-tert-butylsulfanylpyridine-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.09866 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.105936 147.1
[M+Na]+ 232.087878 154.0
[M-H]- 208.091384 149.1
[M+NH4]+ 227.132483 164.6
[M+K]+ 248.061818 150.3
[M+H-H2O]+ 192.095920 140.5
[M+HCOO]- 254.096861 163.6
[M+CH3COO]- 268.112511 190.6
[M+Na-2H]- 230.073326 150.1
[M]+ 209.09811142 145.9
[M]- 209.09920858 145.9
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

No patent data available for this compound.