CID 6832311

Nsc310551

Structural Information

Molecular Formula
C9H11N3S2
SMILES
CC1=NC(=CC=C1)/C=N/NC(=S)SC
InChI
InChI=1S/C9H11N3S2/c1-7-4-3-5-8(11-7)6-10-12-9(13)14-2/h3-6H,1-2H3,(H,12,13)/b10-6+
InChIKey
XOHDGENIENRBBG-UXBLZVDNSA-N
Compound name
methyl N-[(E)-(6-methylpyridin-2-yl)methylideneamino]carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

225.03944 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.04672 145.6
[M+Na]+ 248.02866 153.4
[M-H]- 224.03216 149.0
[M+NH4]+ 243.07326 163.5
[M+K]+ 264.00260 148.3
[M+H-H2O]+ 208.03670 138.2
[M+HCOO]- 270.03764 160.2
[M+CH3COO]- 284.05329 192.9
[M+Na-2H]- 246.01411 147.7
[M]+ 225.03889 147.1
[M]- 225.03999 147.1
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.