CID 3063228

100130-32-3

Structural Information

Molecular Formula
C4H11N5S
SMILES
C(CSC(=N)N)N=C(N)N
InChI
InChI=1S/C4H11N5S/c5-3(6)9-1-2-10-4(7)8/h1-2H2,(H3,7,8)(H4,5,6,9)
InChIKey
GSYGTVNTZHFQQH-UHFFFAOYSA-N
Compound name
2-(diaminomethylideneamino)ethyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

21
References

95
Patents

161.07352 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.08080 131.9
[M+Na]+ 184.06274 136.1
[M-H]- 160.06624 131.9
[M+NH4]+ 179.10734 150.9
[M+K]+ 200.03668 134.3
[M+H-H2O]+ 144.07078 124.5
[M+HCOO]- 206.07172 153.1
[M+CH3COO]- 220.08737 189.4
[M+Na-2H]- 182.04819 133.1
[M]+ 161.07297 126.1
[M]- 161.07407 126.1
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

patents stripe