CID 3000614

6-(2-methylpiperidinyl)-2-pyrazinecarbothioamide

Structural Information

Molecular Formula
C11H16N4S
SMILES
CC1CCCCN1C2=NC(=CN=C2)C(=S)N
InChI
InChI=1S/C11H16N4S/c1-8-4-2-3-5-15(8)10-7-13-6-9(14-10)11(12)16/h6-8H,2-5H2,1H3,(H2,12,16)
InChIKey
UBEFBPQRIKUODX-UHFFFAOYSA-N
Compound name
6-(2-methylpiperidin-1-yl)pyrazine-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

236.10957 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11685 153.3
[M+Na]+ 259.09879 159.8
[M-H]- 235.10229 155.0
[M+NH4]+ 254.14339 166.9
[M+K]+ 275.07273 155.0
[M+H-H2O]+ 219.10683 144.6
[M+HCOO]- 281.10777 164.9
[M+CH3COO]- 295.12342 163.3
[M+Na-2H]- 257.08424 153.9
[M]+ 236.10902 148.7
[M]- 236.11012 148.7
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.