CID 3521

Guanidinoethyl disulfide

Structural Information

Molecular Formula
C6H16N6S2
SMILES
C(CSSCCN=C(N)N)N=C(N)N
InChI
InChI=1S/C6H16N6S2/c7-5(8)11-1-3-13-14-4-2-12-6(9)10/h1-4H2,(H4,7,8,11)(H4,9,10,12)
InChIKey
IRMTXMJNHRISQH-UHFFFAOYSA-N
Compound name
2-[2-[2-(diaminomethylideneamino)ethyldisulfanyl]ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

20
References

1859
Patents

236.08778 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.09506 147.6
[M+Na]+ 259.07700 148.9
[M+NH4]+ 254.12160 153.2
[M+K]+ 275.05094 143.2
[M-H]- 235.08050 148.8
[M+Na-2H]- 257.06245 148.1
[M]+ 236.08723 148.1
[M]- 236.08833 148.1
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