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

1878
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 144.4
[M+Na]+ 259.07700 146.9
[M-H]- 235.08050 143.7
[M+NH4]+ 254.12160 160.1
[M+K]+ 275.05094 142.9
[M+H-H2O]+ 219.08504 135.2
[M+HCOO]- 281.08598 160.0
[M+CH3COO]- 295.10163 207.0
[M+Na-2H]- 257.06245 143.8
[M]+ 236.08723 139.9
[M]- 236.08833 139.9
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