CID 391416

Nsc690588

Structural Information

Molecular Formula
C6H11N4S
SMILES
C[N+]1=NC(=C(C(=C1)N)N)SC
InChI
InChI=1S/C6H10N4S/c1-10-3-4(7)5(8)6(9-10)11-2/h3,8H,7H2,1-2H3/p+1
InChIKey
XWAXPZHSYLLNIH-UHFFFAOYSA-O
Compound name
1-methyl-3-methylsulfanylpyridazin-1-ium-4,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.07045 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.07773 130.3
[M+Na]+ 194.05967 140.2
[M-H]- 170.06317 131.7
[M+NH4]+ 189.10427 148.1
[M+K]+ 210.03361 131.1
[M+H-H2O]+ 154.06771 126.3
[M+HCOO]- 216.06865 148.4
[M+CH3COO]- 230.08430 176.4
[M+Na-2H]- 192.04512 136.0
[M]+ 171.06990 128.4
[M]- 171.07100 128.4
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.