CID 113985

63680-30-8

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]+ 291.16716 165.0
[M+Na]+ 313.14910 165.8
[M-H]- 289.15260 161.8
[M+NH4]+ 308.19370 178.7
[M+K]+ 329.12304 159.5
[M+H-H2O]+ 273.15714 156.5
[M+HCOO]- 335.15808 175.5
[M+CH3COO]- 349.17373 210.6
[M+Na-2H]- 311.13455 161.6
[M]+ 290.15933 162.6
[M]- 290.16043 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.