CID 9554744

Nsc665996

Structural Information

Molecular Formula
C9H12N4S
SMILES
CN(C)C(=S)N/N=C/C1=CC=CC=N1
InChI
InChI=1S/C9H12N4S/c1-13(2)9(14)12-11-7-8-5-3-4-6-10-8/h3-7H,1-2H3,(H,12,14)/b11-7+
InChIKey
UEBZGRVRTRJIBF-YRNVUSSQSA-N
Compound name
1,1-dimethyl-3-[(E)-pyridin-2-ylmethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.07826 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08554 145.1
[M+Na]+ 231.06748 151.3
[M-H]- 207.07098 150.1
[M+NH4]+ 226.11208 163.5
[M+K]+ 247.04142 149.4
[M+H-H2O]+ 191.07552 136.9
[M+HCOO]- 253.07646 167.3
[M+CH3COO]- 267.09211 195.5
[M+Na-2H]- 229.05293 149.9
[M]+ 208.07771 146.2
[M]- 208.07881 146.2
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.