CID 99186

40283-59-8

Structural Information

Molecular Formula
C12H24N2O3S2
SMILES
C1CCC(CC1)CCCCN=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C12H24N2O3S2/c13-12(10-18-19(15,16)17)14-9-5-4-8-11-6-2-1-3-7-11/h11H,1-10H2,(H2,13,14)(H,15,16,17)
InChIKey
AYXXZCZXYOGKNY-UHFFFAOYSA-N
Compound name
4-[(1-amino-2-sulfosulfanylethylidene)amino]butylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.12283 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.13011 169.0
[M+Na]+ 331.11205 170.5
[M-H]- 307.11555 169.2
[M+NH4]+ 326.15665 182.6
[M+K]+ 347.08599 165.7
[M+H-H2O]+ 291.12009 161.8
[M+HCOO]- 353.12103 176.9
[M+CH3COO]- 367.13668 203.2
[M+Na-2H]- 329.09750 168.3
[M]+ 308.12228 166.9
[M]- 308.12338 166.9
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.