CID 9574347

Nsc600060

Structural Information

Molecular Formula
C10H13N3S2
SMILES
CC1=NC(=CC=C1)/C(=N/NC(=S)SC)/C
InChI
InChI=1S/C10H13N3S2/c1-7-5-4-6-9(11-7)8(2)12-13-10(14)15-3/h4-6H,1-3H3,(H,13,14)/b12-8+
InChIKey
FBWSJSWNFLLJJB-XYOKQWHBSA-N
Compound name
methyl N-[(E)-1-(6-methylpyridin-2-yl)ethylideneamino]carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.05508 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.06236 150.3
[M+Na]+ 262.04430 157.3
[M-H]- 238.04780 153.6
[M+NH4]+ 257.08890 167.5
[M+K]+ 278.01824 152.5
[M+H-H2O]+ 222.05234 142.8
[M+HCOO]- 284.05328 163.5
[M+CH3COO]- 298.06893 196.7
[M+Na-2H]- 260.02975 151.0
[M]+ 239.05453 151.6
[M]- 239.05563 151.6
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.