CID 113985

Dtxsid30979932

Structural Information

Molecular Formula
C12H26N4S2
SMILES
C(CCCCCSC(=N)N)CCCCSC(=N)N
InChI
InChI=1S/C12H26N4S2/c13-11(14)17-9-7-5-3-1-2-4-6-8-10-18-12(15)16/h1-10H2,(H3,13,14)(H3,15,16)
InChIKey
OGLIDZHQKBCSTG-UHFFFAOYSA-N
Compound name
10-carbamimidoylsulfanyldecyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.15988 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.167156 165.0
[M+Na]+ 313.149098 165.8
[M-H]- 289.152604 161.8
[M+NH4]+ 308.193703 178.7
[M+K]+ 329.123038 159.5
[M+H-H2O]+ 273.157140 156.5
[M+HCOO]- 335.158081 175.5
[M+CH3COO]- 349.173731 210.6
[M+Na-2H]- 311.134546 161.6
[M]+ 290.15933142 162.6
[M]- 290.16042858 162.6
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.